SCHEMBL4960908

SCHEMBL4960908

COC(=O)c1cc(-c2ccc(SC)cc2)n(CC2CCCCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.46
P2RY14 Q15391 3/20 0.41
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
MGLL Q99685 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC5A1 P13866 1/20 0.37

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
SCHEMBL4957791 0.84 FAAH (0.46) FAAHP2RY14KMT2A
SCHEMBL3863117 0.81 FAAH (0.40) FAAHPOLBKMT2AMGLLTDP1
SCHEMBL3869299 0.81 FAAH (0.40) FAAHPOLBKMT2AMGLLTDP1
SCHEMBL3863759 0.81 FAAH (0.40) FAAHPOLBKMT2AMGLLTDP1
SCHEMBL4958823 0.80 HTR2C (0.38) P2RY14KMT2ASLC5A1
SCHEMBL4957814 0.78 HTR2C (0.36) P2RY14KMT2ASLC5A1
SCHEMBL4958421 0.77 RARB (0.39) P2RY14KMT2ASLC5A1
SCHEMBL4963869 0.76 HTR2C (0.36) P2RY14KMT2ASLC5A1
SCHEMBL4961528 0.76 RAB9A (0.36) P2RY14KMT2ASLC5A1
SCHEMBL5150896 0.74 P2RY14 (0.43) FAAHP2RY14POLBKMT2AMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542972-A4 CYCLOOXYGENASE- 2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2008-01-23 EP disclosed
US-20070238735-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use NITRODMED, INC. (US) 2007-10-11 US disclosed
US-7244753-B2 Cyclooxygenase-2 selective inhibitors, compositions and methods of use NITROMED, INC. (US) 2007-07-17 US disclosed
EP-1542972-A2 CYCLOOXYGENASE- 2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2005-06-22 EP disclosed
US-20040072883-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use NITROMED, INC. 2004-04-15 US disclosed
WO-2004010945-A2 CYCLOOXYGENASE- 2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2004-02-05 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 (2 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-20040072883-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use PTGS2, PTGIS, PTGES2 FAAH 114/4885P2RY14 290/4885POLB 2477/4885
US-20070238735-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use PTGS2, PTGIS, PTGS1 FAAH 151/4885P2RY14 226/4885POLB 2565/4885

“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.