SCHEMBL2185504

SCHEMBL2185504

Cc1cc(-n2ccc(Cl)n2)sc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
RORC P51449 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 3/20 0.38
RAB9A P51151 3/20 0.38
POLB P06746 3/20 0.38
NPC1 O15118 2/20 0.38
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
DAO P14920 2/20 0.35
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
MAPT P10636 2/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 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
SCHEMBL12344796 0.83 ALDH1A1 (0.36) ALDH1A1TSHRHPGDSMN1; SMN2KDM4E
SCHEMBL28792719 0.79 ALDH1A1 (0.32) ALDH1A1TSHRHPGD
SCHEMBL3425861 0.70 DAO (0.48) ALDH1A1TSHRHPGDRORCSMN1; SMN2
SCHEMBL17206345 0.67 RORC (0.38) ALDH1A1TSHRHPGDRORCSMN1; SMN2
SCHEMBL3119596 0.66 PIK3CD (0.56) ALDH1A1SMN1; SMN2KDM4ERAB9APOLB
SCHEMBL27756804 0.66 RORC (0.44) ALDH1A1TSHRHPGDRORCSMN1; SMN2
SCHEMBL3044338 0.65 POLB (0.44) ALDH1A1TSHRHPGDRORCSMN1; SMN2
SCHEMBL4292818 0.64 KDM4E (0.42) ALDH1A1TSHRHPGDSMN1; SMN2KDM4E
SCHEMBL17206342 0.64 RORC (0.38) ALDH1A1TSHRHPGDRORCSMN1; SMN2
SCHEMBL10527606 0.63 RAF1 (0.40) ALDH1A1TSHRHPGDRORCKDM4E

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-8344160-B2 Pyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-8344160-B2 Pyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-8344160-B2 Pyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
EP-2346860-B1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-09-19 EP disclosed
EP-2346860-B1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-09-19 EP disclosed
US-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
EP-2346860-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2011-07-27 EP disclosed
WO-2010042674-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 WO disclosed
WO-2010042674-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 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 (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-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R ALDH1A1 837/4885TSHR 55/4885HPGD 1053/4885

“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.