SCHEMBL16639749

SCHEMBL16639749

Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.72
MEN1 O00255 6/20 0.72
POLB P06746 6/20 0.72
L3MBTL1 Q9Y468 5/20 0.72
NPC1 O15118 2/20 0.72
RAB9A P51151 2/20 0.72
CASP3 P42574 1/20 0.72
SENP8 Q96LD8 1/20 0.72
SENP7 Q9BQF6 1/20 0.72
SENP6 Q9GZR1 1/20 0.72
TDP1 Q9NUW8 4/20 0.71
ALDH1A1 P00352 3/20 0.71
MAPT P10636 3/20 0.71
MCL1 Q07820 2/20 0.71
NPSR1 Q6W5P4 2/20 0.71
EIF4E P06730 1/20 0.71
EIF4G1 Q04637 1/20 0.71
THRB P10828 1/20 0.71
RECQL P46063 1/20 0.71
PTPN22 Q9Y2R2 6/20 0.70

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
SCHEMBL29883225 0.92 KMT2A (0.83) KMT2AMEN1POLBL3MBTL1NPC1
SCHEMBL46215 0.91 ENPP2 (0.75) KMT2AMEN1POLBL3MBTL1NPC1
SCHEMBL14426584 0.87 MEN1 (0.74) KMT2AMEN1POLBL3MBTL1NPC1
SCHEMBL29651506 0.87 MEN1 (0.74) KMT2AMEN1POLBL3MBTL1NPC1
SCHEMBL28185420 0.87 MEN1 (0.74) KMT2AMEN1POLBL3MBTL1NPC1
SCHEMBL16687571 0.86 ENPP2 (0.82) KMT2AMEN1POLBL3MBTL1NPC1
SCHEMBL29468145 0.85 KMT2A (0.75) KMT2AMEN1POLBL3MBTL1NPC1
SCHEMBL6392210 0.84 MEN1 (0.87) KMT2AMEN1POLBL3MBTL1NPC1
SCHEMBL6392207 0.84 MEN1 (0.87) KMT2AMEN1POLBL3MBTL1NPC1
SCHEMBL16639750 0.84 ENPP2 (0.63) KMT2AMEN1POLBL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3243821-B1 PHARMACEUTICAL FORMULATIONS FOR REGULATING INTEGRIN CD11B/CD18 GB006 INC (US) 2020-02-26 EP disclosed
US-20170121410-A1 COMPOSITIONS AND METHODS TO TREAT SOLID TUMORS WAYNE STATE UNIVERSITY (US) 2017-05-04 US disclosed
US-9328105-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2016-05-03 US disclosed
US-9023876-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2015-05-05 US disclosed
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2015-04-16 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-20170121410-A1 COMPOSITIONS AND METHODS TO TREAT SOLID TUMORS ITGB8, MMP8, FUT8 KMT2A 2866/4885MEN1 3438/4885POLB 738/4885
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B KMT2A 2195/4885MEN1 2635/4885POLB 3373/4885

“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.