SCHEMBL9977977

SCHEMBL9977977

Nc1ccc(Cl)c(S(=O)(=O)N2CCN3C(=O)CCC3C2)c1O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
CXCR2 P25025 9/20 0.37
CCR6 P51684 3/20 0.37
ACLY P53396 2/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9977970 0.80 LMNA (0.51) CNR1CXCR2TDP1
SCHEMBL17293593 0.77 ATM (0.40) CNR1CXCR2ACLYATMTDP1
SCHEMBL2770474 0.77 PDK1 (0.41) CNR1CXCR2CCR6ACLYATM
SCHEMBL2770476 0.77 PDK1 (0.41) CNR1CXCR2CCR6ACLYATM
SCHEMBL17293595 0.77 ATM (0.40) CNR1CXCR2ACLYATMTDP1
SCHEMBL1563469 0.77 CXCR2 (0.54) CXCR2CCR6ATM
SCHEMBL17293877 0.76 ATM (0.43) CNR1CXCR2CCR6ATMTDP1
SCHEMBL2768040 0.76 ATM (0.43) CNR1CXCR2CCR6ACLYATM
SCHEMBL19065808 0.76 CXCR2 (0.36) CNR1CXCR2CCR6
SCHEMBL20247714 0.76 CXCR2 (0.36) CNR1CXCR2CCR6

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 CNR1 34/4885CXCR2 1/4885CCR6 51/4885

“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.