SCHEMBL711636

SCHEMBL711636

Cc1cc(S(=O)(=O)N2CCOCC2)ccc1Br

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.71
RIN1 Q13671 1/20 0.71
TSHR P16473 2/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
KDM4E B2RXH2 3/20 0.64
LMNA P02545 2/20 0.64
POLB P06746 1/20 0.57
ALDH1A1 P00352 3/20 0.56
APEX1 P27695 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HSD17B10 Q99714 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CASP1 P29466 1/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55

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
SCHEMBL17790336 0.86 ALDH1A1 (0.66) ABL1RIN1TSHRKDM4ELMNA
SCHEMBL7210060 0.86 LMNA (0.69) ABL1RIN1TSHRSMN1; SMN2KDM4E
SCHEMBL12757098 0.86 SMN1; SMN2 (0.75) TSHRSMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL29859274 0.86 ALDH1A1 (0.66) ABL1RIN1TSHRKDM4ELMNA
SCHEMBL16492268 0.86 ALDH1A1 (0.71) ABL1RIN1TSHRSMN1; SMN2LMNA
SCHEMBL5627956 0.85 SMN1; SMN2 (0.69) ABL1RIN1TSHRSMN1; SMN2KDM4E
SCHEMBL16492273 0.84 MEN1 (0.66) ABL1RIN1TSHRSMN1; SMN2LMNA
SCHEMBL14501508 0.84 MEN1 (0.66) ABL1RIN1TSHRSMN1; SMN2LMNA
SCHEMBL16735251 0.83 LMNA (0.62) ABL1RIN1TSHRSMN1; SMN2KDM4E
SCHEMBL1156718 0.83 ABL1 (0.58) ABL1RIN1TSHRSMN1; SMN2KDM4E

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
US-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS GRUENENTHAL GMBH (DE) 2016-06-02 US disclosed
US-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS GRUENENTHAL GMBH (DE) 2016-06-02 US disclosed
CN-101501035-B Pyrimidine derivatives as PI3K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD 2013-01-23 CN disclosed
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
CN-102216249-A Naphthylacetic acids HOFFMANN LA ROCHE 2011-10-12 CN disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
EP-2346807-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 US disclosed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 US disclosed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 US disclosed
WO-2010055005-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed
WO-2010055005-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
CN-101501035-A Pyrimidine derivatives as P13K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-08-05 CN disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP 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 (4 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E ABL1 2048/4885RIN1 396/4885TSHR 761/4885
US-20100137250-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 ABL1 1707/4885RIN1 1508/4885TSHR 158/4885
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 ABL1 221/4885RIN1 536/4885TSHR 3412/4885
US-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS AADAC, PRRC2C, PRRC2A ABL1 3486/4885RIN1 891/4885TSHR 4493/4885

“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.