SCHEMBL6926005

SCHEMBL6926005

CCC(=O)Nc1ccc(C(=O)CCC(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
RAB9A P51151 2/20 0.61
HPGD P15428 1/20 0.61
KMT2A Q03164 7/20 0.56
MEN1 O00255 5/20 0.56
ATM Q13315 2/20 0.56
GAA P10253 3/20 0.56
MAPT P10636 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 2/20 0.54
CYP1A1 P04798 1/20 0.53
NR4A2 P43354 1/20 0.52
USP5 P45974 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL16509081 0.90 CYP1A1 (0.62) ALDH1A1RAB9AHPGDKMT2AMEN1
SCHEMBL6925996 0.89 TP53 (0.62) ALDH1A1RAB9AHPGDKMT2AMEN1
SCHEMBL6929377 0.88 CYP1A1 (0.68) KMT2AMEN1ATMGAAMAPT
SCHEMBL6927772 0.86 CYP1A1 (0.56) ALDH1A1RAB9AKMT2AMEN1ATM
SCHEMBL6929716 0.86 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1ATMGAA
SCHEMBL9517500 0.86 ALDH1A1 (0.68) ALDH1A1RAB9AHPGDKMT2AMEN1
SCHEMBL11182406 0.83 ALDH1A1 (0.56) ALDH1A1RAB9AKMT2AMEN1ATM
SCHEMBL6932654 0.83 POLB (0.66) ALDH1A1KMT2AMEN1ATMGAA
SCHEMBL6931845 0.83 THRA (0.69) ALDH1A1KMT2AMEN1ATMGAA
SCHEMBL6924351 0.83 THRA (0.69) ALDH1A1KMT2AMEN1ATMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624196-B2 Particularly gelatinase A, collagenase-3, and stromelysin-1 and for the treatment of multiple sclerosis, cardiovascular disorders WARNER-LAMBERT COMPANY 2003-09-23 US claimed
US-6541521-B1 Particularly gelatinase A, collagenase-3, and stromelysin-1 WARNER-LAMBERT COMPANY 2003-04-01 US claimed
US-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY (US) 2002-10-31 US claimed
CN-106905175-B A kind of preparation method of p-aminophenyl butyric acid 厦门市瑞思医药科技有限公司 2019-06-04 CN disclosed
CN-106905175-A A kind of preparation method of p-aminophenyl butyric acid 厦门市瑞思医药科技有限公司 2017-06-30 CN disclosed
US-6624196-B2 Particularly gelatinase A, collagenase-3, and stromelysin-1 and for the treatment of multiple sclerosis, cardiovascular disorders WARNER-LAMBERT COMPANY 2003-09-23 US disclosed
US-6541521-B1 Particularly gelatinase A, collagenase-3, and stromelysin-1 WARNER-LAMBERT COMPANY 2003-04-01 US disclosed
US-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY (US) 2002-10-31 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 (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-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases MMP1, MMP8, MMP13 ALDH1A1 1135/4885RAB9A 2177/4885HPGD 1029/4885

“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.