SCHEMBL92598

SCHEMBL92598

Nc1nc2cc(C3CC(C(=O)O)C3)ccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.41
▸ PIK3CA P42336 2/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ EPHX2 P34913 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ NOS3 P29474 2/20 0.36
▸ NOS1 P29475 2/20 0.36
▸ NOS2 P35228 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL92590 0.85 CYP3A4 (0.50) HDAC4PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL9620034 0.70 TDP1 (0.44) PIK3CAPIK3CDPIK3CBPIK3CGDRD2
SCHEMBL6985206 0.70 NPC1 (0.68) PIK3CAPIK3CDPIK3CBPIK3CGDRD2
SCHEMBL6979669 0.67 NPC1 (0.47) PIK3CAPIK3CDPIK3CBPIK3CGRAB9A
SCHEMBL84833 0.67 KDM4E (0.65) PIK3CAPIK3CDPIK3CBPIK3CGRAB9A
SCHEMBL31132400 0.66 RAB9A (0.53) PIK3CAPIK3CDPIK3CBPIK3CGRAB9A
SCHEMBL9185252 0.66 RAB9A (0.53) PIK3CAPIK3CDPIK3CBPIK3CGRAB9A
SCHEMBL9619958 0.66 NPC1 (0.45) PIK3CAPIK3CDPIK3CBPIK3CGDRD2
SCHEMBL72699 0.66 GAA (0.72) PIK3CAPIK3CDPIK3CBPIK3CGRAB9A
SCHEMBL2190447 0.65 ALDH1A1 (0.61) PIK3CAPIK3CDPIK3CBPIK3CGRAB9A

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 HDAC4 834/4885PIK3CA 359/4885PIK3CD 490/4885

“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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