SCHEMBL2012392

SCHEMBL2012392

COC(=O)CSc1ccc(C(=O)CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 8/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.43
GLA P06280 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.40
EPHX2 P34913 1/20 0.38
HPGD P15428 4/20 0.37
HSD17B10 Q99714 4/20 0.37

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
SCHEMBL19102984 0.81 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2PKMMAPT
SCHEMBL4200358 0.81 MAPT (0.49) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL882755 0.79 HDAC1 (0.44) ALDH1A1TSHRSMN1; SMN2PKMMAPT
SCHEMBL16215508 0.78 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL2009324 0.78 NR1H4 (0.47) ALDH1A1TSHRSMN1; SMN2PKMMAPT
SCHEMBL19331732 0.78 MAPT (0.51) ALDH1A1TSHRSMN1; SMN2PKMMAPT
SCHEMBL14830379 0.76 ALDH1A1 (0.52) ALDH1A1TSHRSMN1; SMN2PKMMAPT
SCHEMBL17570719 0.76 ALDH1A1 (0.39) ALDH1A1TSHRSMN1; SMN2PKMMAPT
SCHEMBL204168 0.76 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTKMT2AGAA
SCHEMBL5955544 0.76 PLOD2 (0.46) ALDH1A1TSHRSMN1; SMN2PKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964628-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-06-21 US disclosed
US-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-07 US disclosed
US-7759387-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-07-20 US disclosed
US-20070021489-A1 Fibrinogen receptor antagonists and their use NICHOLAS PIRAMAL INDIA LIMITED (IN) 2007-01-25 US disclosed
EP-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP disclosed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 WO 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-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE FGB, F13B, F2 ALDH1A1 2548/4885TSHR 163/4885SMN1; SMN2 4690/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 ALDH1A1 2548/4885TSHR 163/4885SMN1; SMN2 4690/4885

“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.