SCHEMBL2148808

SCHEMBL2148808

Nc1ccc(S(=O)(=O)C2CCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
HTR6 P50406 2/20 0.48
LMNA P02545 1/20 0.48
MPO P05164 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 2/20 0.46
CA4 P22748 2/20 0.46
USP2 O75604 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
AGO2 Q9UKV8 1/20 0.46
CA5B Q9Y2D0 1/20 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
SCHEMBL20379865 0.98 TSHR (0.46) TSHRHTR6LMNAMPOCYP3A4
SCHEMBL31219768 0.96 TSHR (0.48) TSHRHTR6LMNAMPOCYP3A4
SCHEMBL2149410 0.91 TSHR (0.52) TSHRHTR6LMNAMPOCYP3A4
SCHEMBL14501834 0.84 HTR6 (0.40) TSHRHTR6LMNAMPOCYP3A4
SCHEMBL1865965 0.82 HTR6 (0.44) TSHRHTR6LMNAMPOCYP3A4
SCHEMBL2632976 0.82 DDIT3 (0.44) TSHRHTR6LMNAMPOCYP3A4
SCHEMBL14538027 0.80 NAMPT (0.46) TSHRHTR6ALDH1A1NT5EGAA
SCHEMBL2924761 0.79 LMNA (0.46) LMNACA1CA2CA12CA9
SCHEMBL217625 0.79 ALDH1A1 (0.48) LMNACYP3A4CYP2C9CA1CA2
SCHEMBL1268648 0.79 MMP13 (0.45) PIP4K2APIK3C3MMP8MMP13MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342185-B1 SULFON SUBSTITUTED ANILINE PYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THEIR MANUFACTURE AND USE AS MEDICINE BAYER IP GMBH (DE) 2016-01-13 EP disclosed
US-9091922-B2 Resin composition, resist underlayer film, resist underlayer film-forming method and pattern-forming method JSR CORPORATION (JP) 2015-07-28 US disclosed
US-8802686-B2 Sulfone-substituted anilinopyrimidine derivatives as CDK inhibitors, the production thereof, and use as a medicine BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-12 US disclosed
US-20140014620-A9 RESIN COMPOSITION, RESIST UNDERLAYER FILM, RESIST UNDERLAYER FILM-FORMING METHOD AND PATTERN-FORMING METHOD JSR CORPORATION (JP) 2014-01-16 US disclosed
US-20130153535-A1 RESIN COMPOSITION, RESIST UNDERLAYER FILM, RESIST UNDERLAYER FILM-FORMING METHOD AND PATTERN-FORMING METHOD JSR CORPORATION (JP) 2013-06-20 US disclosed
EP-1944305-B1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2011-10-19 EP disclosed
US-20110251222-A1 SULFONE-SUBSTITUTED ANILINOPYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THE PRODUCTION THEREOF, AND USE AS A MEDICINE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-13 US disclosed
US-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
US-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
EP-2361902-A1 4,6-DIAMINONICOTINAMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-08-31 EP disclosed
EP-1633748-B1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2008-03-05 EP disclosed
EP-1633748-B1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2008-03-05 EP disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20060178416-A1 Quinoline derivatives as phosphodiesterase inhibitors BARKER MICHAEL D 2006-08-10 US disclosed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 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 (5 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-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND JAK3, JAK2, JAK1 TSHR 1880/4885HTR6 863/4885LMNA 4693/4885
US-20060178416-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A TSHR 2526/4885HTR6 1226/4885LMNA 2744/4885
US-20110251222-A1 SULFONE-SUBSTITUTED ANILINOPYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THE PRODUCTION THEREOF, AND USE AS A MEDICINE CDK6, CDK4, CDK2 TSHR 3730/4885HTR6 2884/4885LMNA 3428/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A TSHR 2526/4885HTR6 1226/4885LMNA 2744/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A TSHR 2526/4885HTR6 1226/4885LMNA 2744/4885

“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.