SCHEMBL603381

SCHEMBL603381

CCC(C(=O)O)C1CCC(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.50
▸ DRD3 P35462 5/20 0.50
▸ DRD1 P21728 4/20 0.50
▸ DRD4 P21917 4/20 0.50
▸ DRD5 P21918 4/20 0.50
▸ IDO1 P14902 1/20 0.40
▸ CXCR2 P25025 2/20 0.39
▸ CXCR1 P25024 1/20 0.39
▸ HSD11B1 P28845 1/20 0.37
▸ HTR1D P28221 1/20 0.36
▸ CACNA1G O43497 1/20 0.35
▸ CACNA1H O95180 1/20 0.35
▸ CACNA1I Q9P0X4 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL660963 0.84 DRD2 (0.47) DRD2DRD3DRD1DRD4DRD5
SCHEMBL435425 0.84 DRD2 (0.47) DRD2DRD3DRD1DRD4DRD5
SCHEMBL2698104 0.82 DRD2 (0.46) DRD2DRD3DRD1DRD4DRD5
SCHEMBL2698102 0.82 DRD2 (0.46) DRD2DRD3DRD1DRD4DRD5
SCHEMBL13009633 0.81 DRD2 (0.48) DRD2DRD3DRD1DRD4DRD5
SCHEMBL22444698 0.80 DRD2 (0.57) DRD2DRD3DRD1DRD4DRD5
SCHEMBL600742 0.78 ESR2 (0.49) CYP2C9
SCHEMBL1171605 0.78 SLC18A3 (0.47) DRD2
SCHEMBL4976355 0.78 SLC18A3 (0.47) DRD2
SCHEMBL8508995 0.77 DRD2 (0.59) DRD2DRD3DRD1DRD4DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 — — 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-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF OXA1L, CYP11B2, CYP11B1 DRD2 1182/4885DRD3 922/4885DRD1 1269/4885

“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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