SCHEMBL2186202

SCHEMBL2186202

Cc1sc(N)nc1-c1ccccc1.O=S(=O)(Cl)Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 8/20 0.53
MAPT P10636 6/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
GAA P10253 3/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DRD2 P14416 1/20 0.48
HTR6 P50406 1/20 0.48
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
KDM1A O60341 1/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 2/20 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
SCHEMBL330423 0.90 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL2186198 0.84 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1MAPTGAAMEN1
SCHEMBL2188683 0.81 MAPT (0.53) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL4425292 0.79 KDM1A (0.47) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL1802030 0.76 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1MAPTGAAMEN1
SCHEMBL2303869 0.75 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL9094599 0.75 CHRNA7 (0.52) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL11706469 0.74 RORC (0.51) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL2358704 0.74 MPL (0.54) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL30257362 0.74 MPL (0.54) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A

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 SMN1; SMN2 3870/4885ALDH1A1 1473/4885MAPT 4723/4885

“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.