SCHEMBL2170966

SCHEMBL2170966

CC(=O)C(Cl)C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
ELANE P08246 1/20 0.54
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
CDC25B P30305 1/20 0.45
ALOX15 P16050 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 1/20 0.44
MAOB P27338 1/20 0.44
TACR1 P25103 1/20 0.43

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
SCHEMBL1705376 0.85 ALDH1A1 (0.60) ALDH1A1ELANETDP1MAPK1L3MBTL1
SCHEMBL2928989 0.84 ALDH1A1 (0.63) ALDH1A1ELANETDP1MAPK1L3MBTL1
SCHEMBL18328108 0.81 ALDH1A1 (0.60) ALDH1A1ELANETDP1MAPK1L3MBTL1
SCHEMBL9557590 0.81 ALDH1A1 (0.60) ALDH1A1ELANETDP1MAPK1L3MBTL1
SCHEMBL2016551 0.81 ALDH1A1 (0.60) ALDH1A1ELANETDP1MAPK1L3MBTL1
SCHEMBL9122358 0.81 ALDH1A1 (0.66) ALDH1A1ELANETDP1MAPK1L3MBTL1
SCHEMBL8534374 0.81 ALDH1A1 (0.64) ALDH1A1ELANETDP1MAPK1L3MBTL1
SCHEMBL28993130 0.81 TDP1 (0.58) ALDH1A1ELANETDP1MAPK1L3MBTL1
SCHEMBL1922287 0.80 ALDH1A1 (0.63) ALDH1A1ELANETDP1MAPK1L3MBTL1
SCHEMBL26855 0.80 ALDH1A1 (0.63) ALDH1A1ELANETDP1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4642290-A OXIDOREDUCTASE ENZYMES FERMENTING 4-SUBSTITUTED-ACETOACETIC ESTERS OR AMIDES SIH CHARLES J (US) 1987-02-10 US claimed
US-8415386-B2 Azolopyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-09 US disclosed
US-8415386-B2 Azolopyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-09 US disclosed
US-8415386-B2 Azolopyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-09 US disclosed
CN-102272135-A Azolopyrrolone melanin concentrating hormone receptor-1 antagonists 2011-12-07 CN disclosed
WO-2010047956-A9 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-06 WO disclosed
WO-2010047956-A9 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-06 WO disclosed
US-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
EP-2346873-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2011-07-27 EP disclosed
WO-2010047956-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-29 WO disclosed
WO-2010047956-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-29 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-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MC1R, MCHR1, MCHR2 ALDH1A1 689/4885ELANE 3564/4885TDP1 2580/4885

“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.