SCHEMBL2029488

SCHEMBL2029488

CCOP(C)(=O)Cc1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
PPIB P23284 1/20 0.39
PPIA P62937 1/20 0.39
PPID Q08752 1/20 0.39
PPIG Q13427 1/20 0.39
CYP3A4 P08684 2/20 0.38
FDPS P14324 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAOA P21397 1/20 0.38
GFER P55789 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
NPY5R Q15761 1/20 0.33

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
SCHEMBL479061 0.83 CCNT1 (0.46) HDAC1TSHRTDP1PPIBPPIA
SCHEMBL13981576 0.83 NPY5R (0.42) HDAC1TSHRPOLBCCNT1CDK9
SCHEMBL915280 0.81 FDPS (0.46) HDAC1TSHRTDP1PPIBPPIA
SCHEMBL18392890 0.81 MEN1 (0.38) HDAC1TDP1ALDH1A1POLBMAPT
SCHEMBL12709305 0.81 KMT2A (0.41) HDAC1LMNAALDH1A1POLBNPSR1
SCHEMBL10310970 0.81 HDAC1 (0.38) HDAC1TSHRTDP1ALDH1A1POLB
Hydrochloric Acid SCHEMBL3120206 0.81 CCNT1 (0.45) HDAC1TSHRTDP1PPIBPPIA
SCHEMBL15396608 0.81 NPSR1 (0.48) TSHRPOLBNPSR1TP53KCNH2
SCHEMBL2029549 0.80 CCNT1 (0.48) HDAC1TSHRTDP1PPIBPPIA
SCHEMBL21881060 0.79 CCNT1 (0.41) HDAC1TSHRTDP1PPIBPPIA

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 11 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-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-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-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-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 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
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 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 (6 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-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 HDAC1 1582/4885TSHR 306/4885TDP1 4679/4885
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 HDAC1 1556/4885TSHR 688/4885TDP1 4348/4885
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 HDAC1 1202/4885TSHR 680/4885TDP1 4630/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS HDAC1 1897/4885TSHR 4171/4885TDP1 472/4885
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 HDAC1 1356/4885TSHR 239/4885TDP1 4666/4885
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 HDAC1 1202/4885TSHR 680/4885TDP1 4630/4885

“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.