Sugi Predict

Sugi Predict / Compounds / SCHEMBL3973543

SCHEMBL3973543

SCHEMBL3973543

[CH2]n1c(C)cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.43
▸ KDM4E B2RXH2 4/20 0.40
▸ TP53 P04637 3/20 0.40
▸ KMT2A Q03164 7/20 0.39
▸ TSHR P16473 2/20 0.38
▸ MEN1 O00255 6/20 0.37
▸ MAPT P10636 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ DAO P14920 2/20 0.37

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
SCHEMBL29378766 0.74 KMT2A (0.55) SLC6A2KDM4ETP53KMT2AMEN1
SCHEMBL154592 0.74 KMT2A (0.55) SLC6A2KDM4ETP53KMT2AMEN1
SCHEMBL7678437 0.74 SLC6A2 (0.44) SLC6A2KDM4ETP53KMT2ATSHR
SCHEMBL3229178 0.73 SLC6A2 (0.43) SLC6A2KDM4ETP53KMT2ATSHR
SCHEMBL14487047 0.73 KMT2A (0.44) SLC6A2KDM4ETP53KMT2ATSHR
SCHEMBL18525155 0.73 SLC6A2 (0.43) SLC6A2KDM4ETP53KMT2ATSHR
SCHEMBL12813177 0.73 SLC6A2 (0.43) SLC6A2KDM4ETP53KMT2ATSHR
SCHEMBL3008864 0.73 DAO (0.52) SLC6A2KDM4ETP53KMT2ATSHR
SCHEMBL6114342 0.73 SLC6A2 (0.43) SLC6A2KDM4ETP53KMT2ATSHR
Ammonia Solution, Strong SCHEMBL28142197 0.73 KMT2A (0.53) SLC6A2KDM4ETP53KMT2AMEN1

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 6 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-6962938-B2 Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 — — US disclosed
US-6720329-B2 ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-04-13 — — US disclosed
WO-2003040103-A1 β-SULFONE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-15 — — 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 SLC6A2 2111/4885KDM4E 2397/4885TP53 2346/4885

“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.