SCHEMBL6883628

SCHEMBL6883628

N=C(N)Nc1ncc(C(=O)O)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 3/20 0.49
▸ HCAR2 Q8TDS4 1/20 0.46
▸ MAPK13 O15264 3/20 0.42
▸ MAPK12 P53778 3/20 0.42
▸ MAPK11 Q15759 3/20 0.42
▸ MAPK14 Q16539 3/20 0.42
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL186141 0.79 HCAR2 (0.53) FFAR2HCAR2CCNE1CDK2CDK5
SCHEMBL22750823 0.78 HCAR2 (0.52) FFAR2HCAR2MAPK13MAPK12MAPK11
SCHEMBL7144224 0.77 CDC7 (0.49) FFAR2CCNE1CDK2ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL10957492 0.76 CDC7 (0.48) FFAR2CCNE1CDK2ALDH1A1SMN1; SMN2
SCHEMBL3045677 0.76 CCNE1 (0.51) FFAR2HCAR2CCNE1CDK2CDK5
Acetic Acid SCHEMBL2691786 0.76 CCNE1 (0.45) FFAR2MAPK13MAPK12MAPK11MAPK14
SCHEMBL20819347 0.75 CCNE1 (0.64) FFAR2HCAR2CCNE1CDK2CDK5
SCHEMBL4256153 0.74 RAB9A (0.65) FFAR2HCAR2MAPK13MAPK12MAPK11
SCHEMBL2664534 0.73 KDR (0.68) MAPK13MAPK12MAPK11MAPK14CCNE1
SCHEMBL27727733 0.73 SMN1; SMN2 (0.55) FFAR2CCNE1CDK2CDK5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1123283-B1 THIAZOLE-DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-05-06 — — EP disclosed
EP-0928793-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2002-05-15 — — EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 — — US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 — — US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 — — US disclosed
US-6297266-B1 INHIBIT THE BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES OF CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMANN-LA ROCHE INC. 2001-10-02 — — US disclosed
EP-1123283-A1 THIAZOLE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-16 — — EP disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 — — US disclosed
WO-2000024724-A1 THIAZOLE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-05-04 — — WO disclosed
US-6001855-A REACTING A THIAZOLE DERIVATIVE AND A CYCLIC AMINE DERIVATIVE; INHIBITS BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES OF CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS HOFFMAN-LA ROCHE INC. (US) 1999-12-14 — — US disclosed
EP-0928793-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 — — EP disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 — — EP 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 (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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 FFAR2 632/4885HCAR2 2184/4885MAPK13 934/4885

“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.

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