SCHEMBL7857488

SCHEMBL7857488

O=C(O)CCC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
FFAR1 O14842 1/20 0.66
LMNA P02545 1/20 0.66
CYP1A2 P05177 1/20 0.66
RAB9A P51151 1/20 0.66
HIF1A Q16665 1/20 0.66
MMP1 P03956 1/20 0.61
PTPN1 P18031 2/20 0.56
GSK3B P49841 1/20 0.56
NR4A2 P43354 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
HSD11B1 P28845 1/20 0.49
ALDH1A1 P00352 2/20 0.49
USP5 P45974 1/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 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
SCHEMBL5060636 0.95 MMP1 (0.67) SMN1; SMN2FFAR1LMNACYP1A2RAB9A
SCHEMBL26135918 0.87 MMP1 (0.76) MMP1PTPN1GSK3BHDAC1HDAC8
SCHEMBL10884944 0.85 SMN1; SMN2 (0.88) SMN1; SMN2FFAR1LMNACYP1A2RAB9A
SCHEMBL2743312 0.84 HDAC1 (0.62) RAB9AMMP1PTPN1GSK3BKMT2A
SCHEMBL5849402 0.84 HDAC1 (0.67) LMNARAB9AMMP1PTPN1GSK3B
SCHEMBL6931300 0.83 NPC1 (0.65) RAB9AHIF1AMMP1PTPN1HDAC8
SCHEMBL31279403 0.83 HPGD (0.64) SMN1; SMN2MMP1PTPN1GSK3BHDAC1
SCHEMBL7864409 0.83 RAB9A (0.66) SMN1; SMN2FFAR1LMNACYP1A2RAB9A
SCHEMBL3381534 0.83 HDAC1 (0.69) LMNARAB9AMMP1PTPN1GSK3B
SCHEMBL5849457 0.83 HDAC1 (0.69) LMNARAB9AMMP1PTPN1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6307089-B2 Biphenyl butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY 2001-10-23 US disclosed
US-6239288-B1 RHEUMATIC DISEASES WARNER-LAMBERT COMPANY 2001-05-29 US disclosed
US-20010000513-A1 Biphenyl butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY 2001-04-26 US disclosed
EP-0927156-A1 BIPHENYL BUTYRIC ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-07-07 EP disclosed
WO-1998009940-A1 BIPHENYL BUTYRIC ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-12 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-20010000513-A1 Biphenyl butyric acids and their derivatives as inhibitors of matrix metalloproteinases MMP26, MMP1, MMP9 SMN1; SMN2 1912/4885FFAR1 515/4885LMNA 1839/4885

“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.