SCHEMBL9977985

SCHEMBL9977985

Nc1ccc(Cl)c(S(=O)(=O)N2CCC3(CC2)COCCN3)c1O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 10/20 0.37
CCR6 P51684 4/20 0.36
CXCR1 P25024 2/20 0.33
CXCR3 P49682 1/20 0.33
CCR4 P51679 1/20 0.33
CCR1 P32246 2/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FPR2 P25090 1/20 0.32
PROKR1 Q8TCW9 1/20 0.32
POLB P06746 1/20 0.32
SPR P35270 1/20 0.31

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
SCHEMBL6563361 0.78 POLB (0.44) SMN1; SMN2POLB
SCHEMBL17293561 0.76 CCR6 (0.40) CXCR2CCR6CCR1ATMSMN1; SMN2
SCHEMBL2767447 0.76 CXCR2 (0.54) CXCR2CCR6
SCHEMBL9978019 0.75 SPR (0.47) CXCR2CCR6CCR1ATMSPR
SCHEMBL9977980 0.75 CCR6 (0.49) CXCR2CCR6CXCR1CXCR3CCR4
SCHEMBL6564215 0.74 CXCR2 (0.44) CXCR2CCR6ATMSMN1; SMN2
SCHEMBL9978134 0.74 CDK8 (0.38) CXCR2CCR6
SCHEMBL6562315 0.74 CXCR2 (0.45) CXCR2CCR6ATMSMN1; SMN2POLB
SCHEMBL13205457 0.74 ALDH1A1 (0.45) CXCR2CCR6ATMSMN1; SMN2POLB
SCHEMBL17293246 0.73 ALOX5AP (0.40) CXCR2CCR6CCR1SPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651932-B1 BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-11-25 EP disclosed
US-8648070-B2 Bicyclic ring system substituted sulfonamide functionalised phenols as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-8648070-B2 Bicyclic ring system substituted sulfonamide functionalised phenols as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-20120316159-A1 BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-13 US disclosed
US-20120316159-A1 BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-13 US disclosed
WO-2012080457-A1 BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 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-20120316159-A1 BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS CXCR2, CCR2, SULT2A1 CXCR2 1/4885CCR6 51/4885CXCR1 6/4885

“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.