SCHEMBL5033801

SCHEMBL5033801

O=S(=O)(Nc1ccc(-c2cc(-c3nccs3)ccc2Cl)cc1)c1cc(F)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
GLA P06280 2/20 0.56
RAB9A P51151 2/20 0.56
ATM Q13315 2/20 0.56
ACLY P53396 1/20 0.48
SGK1 O00141 7/20 0.44
SCN1A P35498 4/20 0.43
SCN5A Q14524 4/20 0.43
SCN8A Q9UQD0 4/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
USP2 O75604 1/20 0.42
ESR2 Q92731 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SCN1B Q07699 2/20 0.41
NR1I2 O75469 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.40
KIT P10721 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL5030774 0.92 KDM4E (0.46) KDM4EGLARAB9AATMACLY
SCHEMBL5091633 0.88 KDM4E (0.56) KDM4EGLARAB9AATMACLY
SCHEMBL5029746 0.85 KDM4E (0.46) KDM4EGLARAB9AATMACLY
SCHEMBL8234352 0.85 ACLY (0.45) KDM4EGLARAB9AATMACLY
SCHEMBL8237131 0.83 ACLY (0.41) KDM4EGLARAB9AATMACLY
SCHEMBL5032049 0.80 KAT6A (0.48) KDM4EATMACLYMAPT
SCHEMBL5029416 0.80 KDM4E (0.48) KDM4EGLARAB9AATMSGK1
SCHEMBL5027347 0.80 RORC (0.51) KDM4EGLARAB9AATMNPC1
SCHEMBL4513513 0.73 SCN9A (0.55) KDM4EGLARAB9AATMSGK1
SCHEMBL5033829 0.73 EDNRB (0.46) KDM4EGLARAB9AATMACLY

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
US-8741960-B2 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US claimed
US-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US claimed
US-20140242120-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-08-28 US disclosed
US-20140242120-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-08-28 US disclosed
US-20140242120-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-08-28 US disclosed
US-8741960-B2 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US disclosed
US-8741960-B2 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US disclosed
US-8741960-B2 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US disclosed
EP-1983971-A2 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
US-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
US-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
US-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
WO-2007087441-A2 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO disclosed
WO-2007087441-A2 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 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 (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-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses CCR1, NLRP1, NLRP3 KDM4E 1317/4885GLA 464/4885RAB9A 1795/4885
US-20140242120-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, NLRP1, NLRP3 KDM4E 1317/4885GLA 464/4885RAB9A 1795/4885

“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.