SCHEMBL3589217

SCHEMBL3589217

CC(C)(C)OC(=O)CSc1ccc(C(=O)Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
MAPT P10636 6/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 2/20 0.38
GLA P06280 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38

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
SCHEMBL3901459 0.86 NPC1 (0.42) ALDH1A1CCNB2CCNE2CDK1CDK4
SCHEMBL19403484 0.84 HPGD (0.48) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3588219 0.82 APEX1 (0.47) ALDH1A1CCNB2CCNE2CDK1CDK4
SCHEMBL19386035 0.82 NPC1 (0.47) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4597724 0.82 ALDH1A1 (0.44) ALDH1A1CCNB2CCNE2CDK1CDK4
SCHEMBL6933770 0.81 POLB (0.44) ALDH1A1CCNB2CCNE2CDK1CDK4
SCHEMBL7049482 0.81 SMN1; SMN2 (0.54) ALDH1A1CCNB2CCNE2CDK1CDK4
SCHEMBL3892024 0.81 ALDH1A1 (0.46) ALDH1A1CCNB2CCNE2CDK1CDK4
SCHEMBL7867128 0.80 FFAR1 (0.55) ALDH1A1CCNB2CCNE2CDK1CDK4
SCHEMBL25470592 0.79 ALDH1A1 (0.41) ALDH1A1CCNB2CCNE2CDK1CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2010-03-11 US disclosed
EP-1937663-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I Inpharmatica Limited (GB) 2008-07-02 EP disclosed
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 WO disclosed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 WO 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-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I PPARG, PPARD, PPARA ALDH1A1 1049/4885CCNB2 2421/4885CCNE2 683/4885

“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.