Sugi Predict

Sugi Predict / Compounds / SCHEMBL3974896

SCHEMBL3974896

SCHEMBL3974896

Cc1cc(Cc2ccc3c(C=O)cccc3c2)c2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.43
▸ ADAM17 P78536 11/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ MMP3 P08254 1/20 0.39
▸ MMP7 P09237 1/20 0.39
▸ MMP10 P09238 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NCF1 P14598 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ PTGFR P43088 1/20 0.38
▸ PTGER3 P43115 1/20 0.38
▸ PTGER2 P43116 1/20 0.38
▸ PTGDR Q13258 1/20 0.38
▸ GALR3 O60755 1/20 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
SCHEMBL3972012 0.81 NCF1 (0.51) CYP1A2ADAM17ALDH1A1SMN1; SMN2LMNA
SCHEMBL3972007 0.81 CYP1A2 (0.43) CYP1A2ADAM17ALDH1A1MMP3MMP7
SCHEMBL3974892 0.81 ALDH1A1 (0.41) CYP1A2ADAM17ALDH1A1MMP3MMP7
SCHEMBL3964970 0.80 CYP1A2 (0.51) CYP1A2ADAM17ALDH1A1MMP3MMP7
SCHEMBL3970844 0.80 MMP2 (0.53) ADAM17MMP3MMP7RAB9A
SCHEMBL7253268 0.78 CYP1A2 (0.63) CYP1A2ADAM17ALDH1A1HTTSMN1; SMN2
SCHEMBL4048648 0.77 CYP1A2 (0.58) CYP1A2ADAM17ALDH1A1MMP3MMP7
SCHEMBL4048646 0.76 CYP1A2 (0.56) CYP1A2ADAM17ALDH1A1MMP3MMP7
SCHEMBL3969728 0.75 CYP1A2 (0.51) CYP1A2ADAM17ALDH1A1MMP3MMP7
SCHEMBL3970382 0.75 CYP1A2 (0.51) CYP1A2ADAM17ALDH1A1MMP3MMP7

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
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 — — 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 CYP1A2 1247/4885ADAM17 27/4885ALDH1A1 839/4885

“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.