SCHEMBL2863268

SCHEMBL2863268

CSc1ccc(Cc2ccc(C(=O)Cl)s2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
PTGDR Q13258 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLK1 P53350 1/20 0.37
VKORC1 Q9BQB6 1/20 0.36
SLC6A4 P31645 6/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
SLC5A2 P31639 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL2872115 0.85 MAPT (0.39) MEN1KMT2ASLC6A4SLC5A2POLB
SCHEMBL2869106 0.81 PLK1 (0.37) TBXA2RPTGER3PTGER2PTGDRKDM4E
SCHEMBL2869145 0.81 MAPT (0.46) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL29130679 0.79 ALOX5 (0.44) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL2868204 0.78 LOX (0.39) EPHX2NR1H4
SCHEMBL2864616 0.77 POLB (0.46) KDM4ESMN1; SMN2PLK1POLBMAPT
SCHEMBL2872180 0.75 POLB (0.48) KDM4EKMT2ASLC5A2POLBMAPT
SCHEMBL2864886 0.74 KDM4E (0.49) KDM4ESMN1; SMN2
SCHEMBL2871061 0.74 SRD5A2 (0.51) EPHX2
SCHEMBL2863556 0.72 TP53 (0.48) KDM4ESMN1; SMN2

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-7691898-B2 Phosphonic acid derivatives and the treating agents of diseases related hyperphosphatemia KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2010-04-06 US disclosed
US-20080119441-A1 Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1813620-A1 PHOSPHONIC ACID DERIVATIVE AND THERAPEUTIC AGENT FOR DISEASE IN WHICH HIGH PHOSPHATE LEVEL IN BLOOD PARTICIPATES Kotobuki Pharmaceutical Co., Ltd. (JP) 2007-08-01 EP 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 (1 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-20080119441-A1 Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia NR0B1, NR0B2, PTH1R TBXA2R 595/4885PTGER3 179/4885PTGER2 817/4885

“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.