SCHEMBL46257

SCHEMBL46257

Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccccc4)o3)C2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 1.00
ITGAM P11215 3/20 1.00
KMT2A Q03164 12/20 0.76
MEN1 O00255 11/20 0.76
TDP1 Q9NUW8 10/20 0.76
MAPT P10636 10/20 0.76
PKM P14618 7/20 0.76
KDM4E B2RXH2 6/20 0.76
BLM P54132 6/20 0.76
APEX1 P27695 5/20 0.76
CTDSP1 Q9GZU7 5/20 0.76
POLB P06746 9/20 0.73
L3MBTL1 Q9Y468 5/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
ALDH1A1 P00352 5/20 0.68
PTGES O14684 1/20 0.68
SAE1 Q9UBE0 3/20 0.64
UBA2 Q9UBT2 3/20 0.64
HPGD P15428 2/20 0.63
RECQL P46063 2/20 0.63

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
SCHEMBL14291886 0.88 ITGB2 (0.78) ITGB2ITGAMKMT2AMEN1TDP1
SCHEMBL29439068 0.88 ITGB2 (0.78) ITGB2ITGAMKMT2AMEN1TDP1
SCHEMBL14426591 0.88 ITGB2 (0.78) ITGB2ITGAMKMT2AMEN1TDP1
SCHEMBL14426593 0.87 KMT2A (1.00) ITGB2ITGAMKMT2AMEN1TDP1
SCHEMBL14291479 0.85 KMT2A (0.80) ITGB2ITGAMKMT2AMEN1TDP1
SCHEMBL14507110 0.84 KMT2A (1.00) ITGB2ITGAMKMT2AMEN1TDP1
SCHEMBL29701306 0.84 KMT2A (1.00) ITGB2ITGAMKMT2AMEN1TDP1
SCHEMBL14426567 0.84 KMT2A (1.00) ITGB2ITGAMKMT2AMEN1TDP1
SCHEMBL30657779 0.84 TDP1 (0.76) ITGB2ITGAMKMT2AMEN1TDP1
SCHEMBL14426582 0.84 TDP1 (0.76) ITGB2ITGAMKMT2AMEN1TDP1

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 14 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
EP-2838614-B1 COMPOSITIONS FOR REGULATING INTEGRINS GB006 INC (US) 2019-09-11 EP disclosed
US-10239871-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2019-03-26 US disclosed
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2016-06-02 US disclosed
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2016-06-02 US disclosed
US-9328105-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2016-05-03 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-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
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2015-04-16 US disclosed
US-20120010255-A1 Compounds and Methods for Regulating Integrins ATEGRIN, INC. 2012-01-12 US disclosed
US-20120010255-A1 Compounds and Methods for Regulating Integrins ATEGRIN, INC. 2012-01-12 US disclosed
WO-2012005800-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRIN CD11B/CD18 ADHAERE PHARAMACEUTICALS, INC. (US) 2012-01-12 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 (4 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-10239871-B2 Compounds and methods for regulating integrins ITGA2, ITGB2, ITGA2B ITGB2 2/4885ITGAM 9/4885KMT2A 2195/4885
US-20120010255-A1 Compounds and Methods for Regulating Integrins ITGB8, ITGB3, ITGAM ITGB2 5/4885ITGAM 3/4885KMT2A 2448/4885
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B ITGB2 2/4885ITGAM 9/4885KMT2A 2195/4885
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B ITGB2 2/4885ITGAM 9/4885KMT2A 2195/4885

“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.