SCHEMBL92590

SCHEMBL92590

COC(=O)C1CC(c2ccc3sc(N)nc3c2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.50
▸ CYP1A2 P05177 3/20 0.50
▸ CYP2C9 P11712 3/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ FTO Q9C0B1 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ CYP2C19 P33261 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ EPHX2 P34913 2/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CLK1 P49759 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
SCHEMBL92598 0.85 HDAC4 (0.41) CYP3A4CYP1A2CYP2C9CYP2D6FTO
SCHEMBL11661683 0.72 CHRNB2 (0.41) CYP3A4CYP1A2CYP2D6ALDH1A1TSHR
SCHEMBL18640459 0.71 POLB (0.40) CYP3A4CYP1A2CYP2D6ALDH1A1TSHR
SCHEMBL1121708 0.71 CYP3A4 (0.57) CYP3A4CYP1A2CYP2C9CYP2D6FTO
SCHEMBL21513698 0.68 LATS1 (0.46) ALDH1A1KMT2AMAPTLMNA
SCHEMBL84403 0.68 NPC1 (0.67) CYP3A4CYP1A2CYP2C9FTOCYP2C19
SCHEMBL21236206 0.67 SLC6A3 (0.53) —
SCHEMBL29969156 0.67 FFAR1 (0.43) KCNH2
SCHEMBL21513692 0.67 FFAR1 (0.43) KCNH2
SCHEMBL21512716 0.67 SLC6A3 (0.50) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129374-B2 Method of using imidazolothiazole compounds for the treatment of disease AMBIT BIOSCIENCE CORPORATION (US) 2012-03-06 — — US disclosed
US-20100298313-A1 METHOD OF USING IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES 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 (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-20100298313-A1 METHOD OF USING IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK5 CYP3A4 3846/4885CYP1A2 2918/4885CYP2C9 4461/4885

“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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