SCHEMBL16808310

SCHEMBL16808310

O=C(CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(CF)c3)ccn2)c1)NCCN1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.43
KDM1A O60341 3/20 0.40
HDAC1 Q13547 3/20 0.40
GAA P10253 1/20 0.38
PSMD14 O00487 1/20 0.37
STAMBP O95630 1/20 0.37
COPS5 Q92905 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
RAF1 P04049 2/20 0.36
BRAF P15056 2/20 0.36
PARP1 P09874 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
SMYD2 Q9NRG4 2/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGDS O60760 1/20 0.35

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
SCHEMBL39828 0.92 SLC34A2 (0.52) SLC34A2KDM1AHDAC1GAARAF1
SCHEMBL15444417 0.89 SLC34A2 (0.49) SLC34A2KDM1AHDAC1SMN1; SMN2POLB
SCHEMBL19595823 0.89 SMN1; SMN2 (0.43) SLC34A2GAASMN1; SMN2POLBRAF1
SCHEMBL15444443 0.88 SLC34A2 (0.49) SLC34A2KDM1AHDAC1PSMD14STAMBP
SCHEMBL16355208 0.87 SLC34A2 (0.59) SLC34A2KDM1AHDAC1RAF1BRAF
SCHEMBL15420838 0.87 SLC34A2 (0.60) SLC34A2KDM1AHDAC1RAF1BRAF
SCHEMBL19579999 0.86 SLC34A2 (0.48) SLC34A2KDM1AHDAC1PSMD14STAMBP
SCHEMBL46817 0.84 KDM1A (0.51) SLC34A2KDM1AHDAC1PSMD14STAMBP
SCHEMBL16365454 0.84 SLC34A2 (0.45) SLC34A2KDM1AHDAC1PSMD14STAMBP
SCHEMBL19580004 0.82 SLC34A2 (0.52) SLC34A2KDM1AHDAC1PSMD14STAMBP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
US-9301951-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-04-05 US disclosed
US-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 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 (2 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-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 SLC34A2 1/4885KDM1A 4426/4885HDAC1 2715/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 SLC34A2 1/4885KDM1A 4426/4885HDAC1 2715/4885

“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.