SCHEMBL4051892

SCHEMBL4051892

Cc1[nH]c2ccccc2c1Cc1ccc(C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.62
MAPT P10636 6/20 0.60
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 2/20 0.60
GAA P10253 2/20 0.60
CASP1 P29466 1/20 0.60
CASP7 P55210 1/20 0.60
MMP3 P08254 3/20 0.55
MMP7 P09237 3/20 0.55
MMP12 P39900 3/20 0.55
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 3/20 0.52
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
EGFR P00533 1/20 0.49
SRC P12931 1/20 0.49
KAT8 Q9H7Z6 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL16880250 0.85 NR4A2 (0.56) PTPN5MAPTALDH1A1KDM4EGAA
SCHEMBL6920607 0.85 MAPT (0.61) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL5881714 0.83 PTPN5 (0.72) PTPN5MAPTALDH1A1KDM4EGAA
SCHEMBL3078541 0.80 HTT (0.57) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL5881779 0.80 PTPN5 (0.68) PTPN5MAPTALDH1A1KDM4EGAA
SCHEMBL5881776 0.80 PTPN5 (0.68) PTPN5MAPTALDH1A1KDM4EGAA
SCHEMBL4443613 0.79 MAPT (0.51) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL16880497 0.79 MAPT (0.52) PTPN5MAPTALDH1A1KDM4EGAA
SCHEMBL693485 0.79 PTGS1 (0.60) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL31744696 0.79 MAPT (0.54) MAPTALDH1A1KDM4EGAACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397137-B1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2009-10-14 EP disclosed
US-7482372-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-20050171096-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) SHEPPECK JAMES E (US) 2005-08-04 US disclosed
US-6906053-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US disclosed
US-6890915-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-05-10 US disclosed
US-20040209874-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) SHEPPECK JAMES E (US) 2004-10-21 US disclosed
EP-1397137-A4 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP disclosed
EP-1397137-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-17 EP disclosed
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-10 US disclosed
WO-2002096426-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 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 (3 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-20040209874-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM8 PTPN5 4511/4885MAPT 4051/4885ALDH1A1 701/4885
US-20050171096-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM9 PTPN5 4462/4885MAPT 3909/4885ALDH1A1 600/4885
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM8 PTPN5 4511/4885MAPT 4051/4885ALDH1A1 701/4885

“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.