SCHEMBL2367545

SCHEMBL2367545

Cc1c(C(=O)O)nnn1Cc1ccc(C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
COPS5 Q92905 2/20 0.43
PTGER4 P35408 5/20 0.42
HTT P42858 2/20 0.42
CYP19A1 P11511 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
KLKB1 P03952 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 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
SCHEMBL2367846 0.85 HPGD (0.54) HPGDHTTCYP19A1SMN1; SMN2CYP1A2
SCHEMBL795210 0.84 HPGD (0.68) HPGDHTTCYP19A1SMN1; SMN2CYP1A2
SCHEMBL2367880 0.83 CYP19A1 (0.53) HPGDHTTCYP19A1SMN1; SMN2CYP1A2
SCHEMBL2368342 0.83 POLB (0.53) HPGDPTGER4HTTCYP19A1SMN1; SMN2
SCHEMBL1923196 0.82 HPGD (0.48) HPGDHTTSMN1; SMN2KLKB1
SCHEMBL17351879 0.81 ALOX15 (0.56) HPGDSMN1; SMN2CYP1A2ALDH1A1POLB
SCHEMBL2367657 0.80 GRN (0.49) HPGDHTTCYP19A1SMN1; SMN2CYP1A2
SCHEMBL18320967 0.80 HPGD (0.48) HPGDHTTCYP19A1SMN1; SMN2CYP1A2
SCHEMBL2367593 0.78 HPGD (0.53) HPGDPTGER4CYP19A1SMN1; SMN2CYP1A2
SCHEMBL2368340 0.78 HPGD (0.50) HPGDHTTCYP19A1SMN1; SMN2CYP1A2

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
US-9051281-B2 Compounds GLAXOSMITHKLINE LLC (US) 2015-06-09 US disclosed
EP-2368887-B1 1, 2, 3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-02-26 EP disclosed
US-20130281499-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2013-10-24 US disclosed
US-8486977-B2 1,2,3-triazole derivatives for use as stearoyl-CoA desaturase inhibitors GLAXOSMITHKLINE LLC (US) 2013-07-16 US disclosed
EP-2368887-A1 1, 2, 3-triazole derivatives for use as stearoyl-COA desaturase inhibitors Glaxosmithkline LLC (US) 2011-09-28 EP disclosed
US-20100297054-A1 1,2,3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-11-25 US 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-20100297054-A1 1,2,3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, FASN HPGD 592/4885COPS5 2335/4885PTGER4 1978/4885
US-20130281499-A1 COMPOUNDS CYP11B2, SCD, CYP11B1 HPGD 719/4885COPS5 2104/4885PTGER4 1355/4885

“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.