SCHEMBL7140500

SCHEMBL7140500

CC(CN)C(C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 6/20 0.51
▸ GABBR1 Q9UBS5 6/20 0.51
▸ CYP2C9 P11712 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ THRB P10828 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ FFAR2 O15552 3/20 0.47
▸ POLB P06746 2/20 0.45
▸ MAPT P10636 1/20 0.42
▸ PMP22 Q01453 1/20 0.42

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
SCHEMBL31686418 0.84 FFAR2 (0.49) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL29150177 0.83 FFAR2 (0.47) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL1405698 0.80 FFAR2 (0.65) LMNAMEN1KMT2AFFAR2
SCHEMBL68169 0.80 FFAR2 (0.65) LMNAMEN1KMT2AFFAR2
SCHEMBL1677207 0.80 FFAR2 (0.65) LMNAMEN1KMT2AFFAR2
Hydrochloric Acid SCHEMBL9862940 0.78 FFAR2 (0.62) LMNAMEN1KMT2AFFAR2
Ammonia Solution, Strong SCHEMBL10607681 0.78 FFAR2 (0.62) LMNAMEN1KMT2AFFAR2
SCHEMBL7525386 0.78 FFAR2 (0.53) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL27563008 0.78 FFAR2 (0.62) LMNAMEN1KMT2AFFAR2
Hydrochloric Acid SCHEMBL9862939 0.78 FFAR2 (0.62) LMNAMEN1KMT2AFFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 — — 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-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 — — US 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 GABBR2 3531/4885GABBR1 3582/4885CYP2C9 4114/4885

“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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