SCHEMBL3852993

SCHEMBL3852993

Cc1ccc(F)c(CS)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
IDO1 P14902 2/20 0.41
MAPK1 P28482 1/20 0.36
MAP2K4 P45985 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
MAPKAPK3 Q16644 1/20 0.36
MAPK6 Q16659 1/20 0.36
NFE2L2 Q16236 1/20 0.36
AMY1A P0DUB6 1/20 0.35
ACHE P22303 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
HTT P42858 1/20 0.34
NISCH Q9Y2I1 1/20 0.33

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
Acetic Acid SCHEMBL3850089 0.89 RAB9A (0.39) TAAR1MAPK1
SCHEMBL3851351 0.83 TAAR1 (0.44) TAAR1IDO1MAPK1MAP2K4MAPKAPK2
SCHEMBL17351838 0.82 IDO1 (0.41) TAAR1IDO1NFE2L2ACHECYP1A2
SCHEMBL10290674 0.79 TAAR1 (0.43) TAAR1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL8239069 0.79 TAAR1 (0.43) TAAR1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL14194626 0.78 IDO1 (0.46) TAAR1IDO1AMY1AACHECYP1A2
SCHEMBL268462 0.77 TAAR1 (0.42) TAAR1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL268243 0.77 MAPK1 (0.54) TAAR1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL583371 0.77 TAAR1 (0.52) TAAR1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL8574537 0.77 TAAR1 (0.42) TAAR1MAPK1MAP2K4MAPKAPK2MAPKAPK3

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
US-7579342-B2 Pteridine compounds for the treatment of psoriasis ASTRAZENECA (SE) 2009-08-25 US disclosed
US-20050171345-A1 Pteridine compounds for the treatment of psoriasis ASTRAZENECA AB, A SWEDEN CORPORATION 2005-08-04 US disclosed
US-6875868-B2 Pteridine compounds for the treatment of psoriasis ASTRAZENECA AB (SE) 2005-04-05 US disclosed
EP-1259512-B1 PTERIDINE COMPOUNDS FOR THE TREATMENT OF PSORIASIS ASTRAZENECA AB (SE) 2003-09-24 EP disclosed
US-20030055250-A1 Pteridine compounds for the treatment of psoriasis ASTRAZENECA AB (SE) 2003-03-20 US disclosed
EP-1259512-A1 PTERIDINE COMPOUNDS FOR THE TREATMENT OF PSORIASIS AstraZeneca AB (SE) 2002-11-27 EP disclosed
WO-2001062758-A1 PTERIDINE COMPOUNDS FOR THE TREATMENT OF PSORIASIS ASTRAZENECA AB (SE) 2001-08-30 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-20030055250-A1 Pteridine compounds for the treatment of psoriasis DHFR, NAMPT, HPRT1 TAAR1 3194/4885IDO1 148/4885MAPK1 2143/4885
US-20050171345-A1 Pteridine compounds for the treatment of psoriasis DHFR, NAMPT, HPRT1 TAAR1 3194/4885IDO1 148/4885MAPK1 2143/4885

“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.