SCHEMBL237857

SCHEMBL237857

[C]#Cc1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.52
CYP2A6 P11509 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CA12 O43570 1/20 0.52
CA3 P07451 1/20 0.52
CA6 P23280 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
TSHR P16473 1/20 0.50
KIF11 P52732 2/20 0.46
LOXL2 Q9Y4K0 2/20 0.46
MMP3 P08254 1/20 0.46
ENPP2 Q13822 1/20 0.46
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
CA1 P00915 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39

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
SCHEMBL28562729 0.97 CA2 (0.50) CA2CYP2A6ALDH1A1CA12CA3
Water SCHEMBL28189314 0.83 CA2 (0.69) CA2CYP2A6ALDH1A1CA12CA3
Water SCHEMBL28254092 0.83 CA2 (0.69) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL2503454 0.83 CA2 (0.69) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL45942 0.83 CA2 (0.69) CA2CYP2A6ALDH1A1CA12CA3
Fluoride SCHEMBL28136789 0.79 CA2 (0.65) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL27486388 0.79 CA2 (0.65) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL28829194 0.79 CA2 (0.65) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL27949151 0.79 CA2 (0.65) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL27567478 0.79 CA2 (0.65) CA2CYP2A6ALDH1A1CA12CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113200905-A Chiral indolone derivative and synthesis method thereof 中山大学 2021-08-03 CN claimed
US-8231941-B2 Procedure for preparing redox-active polymers on surfaces THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-31 US claimed
US-20100330284-A1 PROCEDURE FOR PREPARING REDOX-ACTIVE POLYMERS ON SURFACES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-30 US claimed
US-7452572-B1 Procedure for preparing redox-active polymers on surfaces THE NORTH CAROLINA STATE UNIVERSITY (US) 2008-11-18 US claimed
US-20080280047-A1 PROCEDURE FOR PREPARING REDOX-ACTIVE POLYMERS ON SURFACES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-11-13 US claimed
CN-101248066-A Non-steroidal progesterone receptor modulators BAYER SCHERING PHARMA AG (DE) 2008-08-20 CN claimed
CN-101248056-A Non-steroidal progesterone receptor modulators BAYER SCHERING PHARMA AG (DE) 2008-08-20 CN claimed
EP-1902049-A2 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP claimed
US-7312100-B2 In situ patterning of electrolyte for molecular information storage devices THE NORTH CAROLINA STATE UNIVERSITY (US) 2007-12-25 US claimed
EP-1809473-A2 PROCEDURE FOR PREPARING REDOX-ACTIVE POLYMERS ON SURFACES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-07-25 EP claimed
WO-2006136461-A2 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-12-28 WO claimed
US-20050207208-A1 Situ patterning of electrolyte for molecular information storage devices THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-09-22 US claimed
WO-2005086826-A2 PROCEDURE FOR PREPARING REDOX-ACTIVE POLYMERS ON SURFACES THE REGENTS OF THE UNIVERSITY (US) 2005-09-22 WO claimed
US-6944047-B2 Variable-persistence molecular memory devices and methods of operation thereof NORTH CAROLINA STATE UNIVERSITY (US) 2005-09-13 US claimed
WO-2005017953-A2 IN SITU PATTERNING OF ELECTROLYTE FOR MOLECULAR INFORMATION STORAGE DEVICES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-02-24 WO claimed
CN-1582287-A Thiophenylthiopyrane dioxides as MMP or TNF-alpha inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2005-02-16 CN claimed
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US claimed
US-20040120180-A1 Variable-persistence molecular memory devices and methods of operation thereof NORTH CAROLINA STATE UNIVERSITY 2004-06-24 US claimed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP claimed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO claimed

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-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors TNF, MMP9, MMP1 CA2 561/4885CYP2A6 1458/4885ALDH1A1 440/4885

“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.