SCHEMBL17211862

SCHEMBL17211862

C=C(C)C(=O)CCC(C)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
CA1 P00915 2/20 0.36
TSHR P16473 1/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.32
BBOX1 O75936 1/20 0.31
GAA P10253 1/20 0.30
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRA3 P34903 2/20 0.30
GABRA2 P47869 2/20 0.30
GABRB2 P47870 2/20 0.30
GABRA4 P48169 2/20 0.30
GABRE P78334 2/20 0.30
GABRA6 Q16445 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12587298 0.83 CA1 (0.54) ALDH1A1CA1TSHRTDP1BBOX1
SCHEMBL18124258 0.79 TDP1 (0.36) CA1TSHRTDP1GABRPGABRD
SCHEMBL13469005 0.77 THRB (0.39) ALDH1A1
SCHEMBL21078232 0.76 TDP1 (0.32) CA1TSHRTDP1
SCHEMBL15759387 0.76 TDP1 (0.44) ALDH1A1CA1TSHRTDP1
SCHEMBL17211864 0.76 TSHR (0.32) CA1TSHR
Methacrylic Acid SCHEMBL7773092 0.76 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4GAAGABRP
SCHEMBL15874792 0.76 TSHR (0.32) CA1TSHR
Methacrylic Acid SCHEMBL2540763 0.75 ALDH1A1 (0.38) ALDH1A1TSHRTDP1GABRPGABRD
Methacrylic Acid SCHEMBL9779507 0.75 ALDH1A1 (0.38) ALDH1A1TSHRTDP1GABRPGABRD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12016856-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders ARDELYX, INC. (US) 2024-06-25 US disclosed
US-20170340623-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC. 2017-11-30 US disclosed
US-9684095-B2 Hydrophilized carbosiloxane vinylic monomers NOVARTIS AG (CH) 2017-06-20 US disclosed
US-9408840-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorder ARDELYX, INC. (US) 2016-08-09 US disclosed
US-20160220503-A1 METHOD FOR MAKING CUSTOMISED NANOPARTICLES, NANOPARTICLES AND USES THEREOF ETH ZURICH (CH) 2016-08-04 US disclosed
US-20150309210-A1 HYDROPHILIZED CARBOSILOXANE VINYLIC MONOMERS ALCON INC. (CH) 2015-10-29 US disclosed
US-20150190389-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDER ARDELYX, INC. (US) 2015-07-09 US disclosed
US-9006281-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders ARDELYX, INC. (US) 2015-04-14 US disclosed
US-8969377-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders ARDELYX, INC. (US) 2015-03-03 US disclosed
US-20140186445-A1 METHOD FOR MAKING CUSTOMISED NANOPARTICLES, NANOPARTICLES AND USES THEREOF ETH ZURICH (CH) 2014-07-03 US disclosed
US-20140107074-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC. (US) 2014-04-17 US disclosed
US-8541448-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders ARDELYX, INC. (US) 2013-09-24 US disclosed
US-20130236968-A1 MULTIFUNCTIONAL COPOLYMERS FOR NUCLEIC ACID DELIVERY ALNYLAM PHARMACEUTICALS, INC. (US) 2013-09-12 US disclosed
US-20120263670-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC. (US) 2012-10-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140186445-A1 METHOD FOR MAKING CUSTOMISED NANOPARTICLES, NANOPARTICLES AND USES THEREOF MSN, CD14, SAMM50 ALDH1A1 2301/4885CA1 3334/4885TSHR 3424/4885
US-20150190389-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDER SLC9A1, SLC9A2, SLC10A2 ALDH1A1 3416/4885CA1 1146/4885TSHR 306/4885
US-20120263670-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS SLC10A1, SLC10A2, FABP2 ALDH1A1 1732/4885CA1 3458/4885TSHR 688/4885
US-20170340623-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS SLC10A1, SLC10A2, FABP3 ALDH1A1 2512/4885CA1 2173/4885TSHR 680/4885
US-20160220503-A1 METHOD FOR MAKING CUSTOMISED NANOPARTICLES, NANOPARTICLES AND USES THEREOF MSN, CD14, SAMM50 ALDH1A1 2301/4885CA1 3334/4885TSHR 3424/4885
US-20140107074-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS SLC10A2, SLC9A1, SLC9A2 ALDH1A1 3272/4885CA1 1426/4885TSHR 239/4885
US-20150309210-A1 HYDROPHILIZED CARBOSILOXANE VINYLIC MONOMERS VCL, MACF1, HCAR1 ALDH1A1 1488/4885CA1 328/4885TSHR 3251/4885
US-12016856-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders SLC10A1, SLC10A2, FABP3 ALDH1A1 2512/4885CA1 2173/4885TSHR 680/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.