SCHEMBL3267183

SCHEMBL3267183

Cc1cc(F)c2c(c1)C(=O)CCC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.47
NOTUM Q6P988 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL702951 0.82 SMN1; SMN2 (0.46) BRD4ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL8459403 0.81 MAOA (0.44) BRD4KDM4EMEN1KMT2ALMNA
SCHEMBL30070487 0.81 MAOA (0.44) BRD4KDM4EMEN1KMT2ALMNA
SCHEMBL9015414 0.79 KDM4E (0.44) BRD4NOTUMALDH1A1MAPTSMN1; SMN2
SCHEMBL16527051 0.79 SMN1; SMN2 (0.43) BRD4ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL25687591 0.78 BRD4 (0.42) BRD4ALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL769176 0.78 MEN1 (0.42) BRD4ALDH1A1MAPTKDM4EMEN1
SCHEMBL2818508 0.78 ALDH1A1 (0.41) BRD4ALDH1A1MAPTKDM4EMEN1
SCHEMBL29673079 0.78 NOTUM (0.42) BRD4NOTUMALDH1A1MAPTSMN1; SMN2
SCHEMBL11741693 0.78 NOTUM (0.42) BRD4NOTUMALDH1A1MAPTSMN1; 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022127827-A1 KRASG12C PROTEIN MUTATION INHIBITOR AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 上海维申医药有限公司 2022-06-23 WO disclosed
EP-2714675-B1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2019-01-02 EP disclosed
US-9624238-B2 4H-thieno[3,2-C]chromene-based inhibitors of Notum Pectinacetylesterase and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-9624238-B2 4H-thieno[3,2-C]chromene-based inhibitors of Notum Pectinacetylesterase and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-9624238-B2 4H-thieno[3,2-C]chromene-based inhibitors of Notum Pectinacetylesterase and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-20140256784-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2014-09-11 US disclosed
US-20140256784-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2014-09-11 US disclosed
US-20140256784-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2014-09-11 US disclosed
WO-2012166458-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2012-12-06 WO disclosed
WO-2012166458-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2012-12-06 WO disclosed
US-20090036492-A1 Novel Cercosporamide Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-05 US disclosed
EP-1914229-A1 NOVEL CERCOSPORAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-04-23 EP disclosed
US-4207241-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS AND ANTIPRURITIC AGENTS SYNTEX CORPORATION (US) 1980-06-10 US disclosed
US-4097674-A ANTIINFLAMMATORY, ANTIPYRETIC, ANTIPRURITIC AGENTS, ANALGESICS SYNTEX CORPORATION (US) 1978-06-27 US disclosed
US-4051233-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1977-09-27 US disclosed
US-4001301-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTI-PRURITIC SYNTEX CORPORATION (PM) 1977-01-04 US disclosed
US-3998966-A Anti-inflammatory, analgesic, anti-pyretic and anti-pruritic 6-substituted 2-naphthyl acetic acid derivative-containing compositions and methods of use thereof SYNTEX CORPORATION (PM) 1976-12-21 US disclosed
US-3980699-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-09-14 US disclosed
US-3978116-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed
US-3978124-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 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-20090036492-A1 Novel Cercosporamide Derivative GPR119, CBR3, SLC5A2 BRD4 1684/4885NOTUM 1340/4885ALDH1A1 381/4885
US-20140256784-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, CES1, ACHE BRD4 160/4885NOTUM 1/4885ALDH1A1 1022/4885

“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.