SCHEMBL2188683

SCHEMBL2188683

Nc1nc(-c2ccccc2)c(Br)s1.O=S(=O)(Cl)Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.53
ALDH1A1 P00352 10/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
MEN1 O00255 8/20 0.52
KMT2A Q03164 8/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
GAA P10253 3/20 0.52
HTT P42858 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.49
KDM4E B2RXH2 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
POLB P06746 1/20 0.47
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 4/20 0.46
TDP1 Q9NUW8 4/20 0.46

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
SCHEMBL1256622 0.90 MAPT (0.63) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL2186314 0.84 MAPT (0.49) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL2186202 0.81 SMN1; SMN2 (0.54) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL12495409 0.76 HTT (0.55) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL12495322 0.74 RORB (0.53) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL12490383 0.74 MAPT (0.53) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL3147980 0.73 ALDH1A1 (0.44) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL2315152 0.73 MYC (0.54) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL23610345 0.72 ALDH1A1 (0.50) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL27612327 0.72 MAPT (0.47) MAPTALDH1A1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463502-B1 BROADSPECTRUM HETEROCYCLIC SUBSTITUTED PHENYL CONTAINING SULFONAMIDE HIV PROTEASE INHIBITORS TIBOTEC PHARM LTD (IE) 2011-07-13 EP disclosed
US-7763641-B2 Broadspectrum heterocyclic substituted phenyl containing sulfonamide HIV protease inhibitors TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-07-27 US disclosed
CN-100448444-C Broadspectrum heterocyclic substituted phenyl containing sulfonamide HIV protease inhibitors TIBOTEC PHARM LTD (IE) 2009-01-07 CN disclosed
US-20050222215-A1 Broadspectrum heterocyclic substituted phenyl containing sulfonamide hiv protease inhibitors TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-10-06 US disclosed
CN-1620292-A Broadspectrum heterocyclic substituted phenyl containing sulfonamide HIV protease inhibitors TIBOTEC PHARM LTD (IE) 2005-05-25 CN disclosed
EP-1463502-A1 BROADSPECTRUM HETEROCYCLIC SUBSTITUTED PHENYL CONTAINING SULFONAMIDE HIV PROTEASE INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2004-10-06 EP disclosed
WO-2003053435-A1 BROADSPECTRUM HETEROCYCLIC SUBSTITUTED PHENYL CONTAINING SULFONAMIDE HIV PROTEASE INHIBITORS TIBOTEC PHARMACEUTICALS LTD (IE) 2003-07-03 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-20050222215-A1 Broadspectrum heterocyclic substituted phenyl containing sulfonamide hiv protease inhibitors CYP2S1, PRSS1, AHCYL1 MAPT 4723/4885ALDH1A1 1473/4885CYP1A2 92/4885

“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.