SCHEMBL6924409

SCHEMBL6924409

COc1ccccc1C(=O)Nc1ccc(C(=O)CCC(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.70
ALDH1A1 P00352 4/20 0.70
RAB9A P51151 3/20 0.70
KMT2A Q03164 6/20 0.63
KDM4E B2RXH2 1/20 0.63
LMNA P02545 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.60
MAPK1 P28482 2/20 0.60
TP53 P04637 2/20 0.60
NPC1 O15118 2/20 0.60
MEN1 O00255 4/20 0.59
NPSR1 Q6W5P4 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
KCNK3 O14649 2/20 0.57
KCNK9 Q9NPC2 2/20 0.57
RECQL P46063 1/20 0.56

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
SCHEMBL6927650 0.86 RAB9A (0.60) MAPTALDH1A1RAB9AKMT2AKDM4E
SCHEMBL6933214 0.85 MAPT (0.64) MAPTALDH1A1RAB9AKMT2AKDM4E
SCHEMBL6933207 0.85 MAPT (0.64) MAPTALDH1A1RAB9AKMT2AKDM4E
SCHEMBL6932035 0.84 NPC1 (0.58) MAPTALDH1A1RAB9AKMT2AKDM4E
SCHEMBL6929596 0.84 HDAC8 (0.61) MAPTALDH1A1RAB9AKMT2AKDM4E
SCHEMBL4347151 0.83 MAPT (0.64) MAPTALDH1A1RAB9AKMT2AKDM4E
SCHEMBL2362772 0.82 KMT2A (0.82) MAPTALDH1A1RAB9AKMT2AKDM4E
SCHEMBL5656688 0.81 LMNA (0.64) MAPTRAB9AKMT2AKDM4ELMNA
SCHEMBL7636114 0.81 MAPT (0.61) MAPTALDH1A1RAB9AKMT2AKDM4E
SCHEMBL12427905 0.81 MAPT (0.73) MAPTALDH1A1RAB9AKMT2AKDM4E

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 MAPT 718/4885ALDH1A1 1135/4885RAB9A 2177/4885

“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.