SCHEMBL7048995

SCHEMBL7048995

C=CC[C@H](CO)C(=O)NOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
ATM Q13315 1/20 0.41
HDAC3 O15379 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL7048992 1.00 NPC1 (0.48) NPC1RAB9AATMHDAC3NCOR2
SCHEMBL4392472 0.84 NPC1 (0.43) NPC1RAB9AHDAC3NCOR2
SCHEMBL4392476 0.84 NPC1 (0.43) NPC1RAB9AHDAC3NCOR2
SCHEMBL3944730 0.83 NPC1 (0.43) NPC1RAB9AHDAC3NCOR2
SCHEMBL5692957 0.83 NPC1 (0.50) NPC1RAB9AHDAC3NCOR2CYP2C19
SCHEMBL5692232 0.83 NPC1 (0.50) NPC1RAB9AHDAC3NCOR2CYP2C19
SCHEMBL5692226 0.83 NPC1 (0.50) NPC1RAB9AHDAC3NCOR2CYP2C19
SCHEMBL16898305 0.80 NPC1 (0.50) NPC1RAB9A
SCHEMBL16898303 0.80 NPC1 (0.50) NPC1RAB9A
SCHEMBL3859822 0.77 NPC1 (0.47) NPC1RAB9AMAPT

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-20030212067-A1 Matrix metalloprotease inhibitors CASTELHANO ARLINDO LUCAS (US) 2003-11-13 US disclosed
US-6579890-B1 Matrix metalloprotease inhibitors SYNTEX (U.S.A.) INC. 2003-06-17 US disclosed
US-6037472-A FOR TREATING DISEASE-STATES CHARACTERIZED BY EXCESSIVE ACTIVITY OF MATRIX METALLOPROTEASES SUCH AS RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTAL DISEASE, ABERRANT ANGIOGENESIS, TUMOR INVASION AND METASTASIS SYNTEX (U.S.A.) INC. (US) 2000-03-14 US disclosed
EP-0793643-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-09-10 EP disclosed
WO-1996016027-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-05-30 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-20030212067-A1 Matrix metalloprotease inhibitors MMP7, MMP1, MMP3 NPC1 927/4885RAB9A 3175/4885ATM 4284/4885

“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.