Sugi Predict

Sugi Predict / Compounds / SCHEMBL3969827

SCHEMBL3969827

SCHEMBL3969827

CCC(=C(C(=O)O)C(=O)O)c1ccc(Oc2ccccc2)cc1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.40
▸ SRD5A2 P31213 1/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ERCC5 P28715 2/20 0.40
▸ FEN1 P39748 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ GALR3 O60755 1/20 0.39

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
SCHEMBL5182297 0.84 HSD17B10 (0.45) POLBCYP2C19NPC1RAB9AHPGD
SCHEMBL28446240 0.78 XDH (0.50) POLBSRD5A2CYP2C9CYP2C19NPC1
SCHEMBL345323 0.77 CLCN2 (0.42) CYP2C9ERCC5FEN1ALDH1A1
SCHEMBL7215469 0.76 KDM4E (0.41) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3968516 0.76 HSP90AB1 (0.46) CYP2C9CYP2C19KDM4EALDH1A1SMN1; SMN2
SCHEMBL28032023 0.75 POLB (0.47) POLBCYP2C9CYP2C19NPC1RAB9A
SCHEMBL5048489 0.75 ALDH1A1 (0.42) POLBNPC1RAB9AHPGDKDM4E
SCHEMBL25866219 0.74 TSHR (0.59) POLBKDM4EALDH1A1LTA4H
SCHEMBL27811253 0.72 MTNR1A (0.48) POLBSRD5A2ERCC5FEN1NPC1
SCHEMBL10589976 0.71 KDM4C (0.37) RAB9A

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-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 — — US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 — — US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 — — US disclosed
US-20030229084-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY 2003-12-11 — — 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 (2 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 POLB 1914/4885SRD5A2 691/4885CYP2C9 1545/4885
US-20030229084-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases TNF, MMP3, TIMP3 POLB 2048/4885SRD5A2 318/4885CYP2C9 1582/4885

“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.