SCHEMBL6931995

SCHEMBL6931995

O=CCC(C(=O)O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
TAAR1 Q96RJ0 1/20 0.46
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
HTT P42858 5/20 0.44
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPK1 P28482 2/20 0.44
SLC6A3 Q01959 1/20 0.44
XBP1 P17861 1/20 0.44
POLB P06746 2/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CASP3 P42574 1/20 0.43
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL6931854 0.88 CASP3 (0.54) MEN1KMT2ATAAR1NPC1RAB9A
SCHEMBL7244501 0.88 CYP2C19 (0.49) KMT2APOLBGAAKDM4E
SCHEMBL6931406 0.87 MAOA (0.54) MEN1KMT2ARAB9AMAOB
SCHEMBL6930406 0.86 SMN1; SMN2 (0.55) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6931346 0.86 CNR1 (0.51) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL6925981 0.83 CA12 (0.51) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL6931563 0.82 RAB9A (0.59) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6930408 0.79 GAA (0.54) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL28956372 0.76 CYP2C19 (0.39) HTTMAPTSMN1; SMN2MAPK1LMNA
SCHEMBL3070329 0.74 KMT2A (0.76) MEN1KMT2ATAAR1NPC1RAB9A

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-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
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 MEN1 3055/4885KMT2A 4700/4885TAAR1 4450/4885

“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.