SCHEMBL6930113

SCHEMBL6930113

Cc1ccc(C(=O)Nc2ccc(C(CCC(=O)O)=NO)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.61
RAB9A P51151 7/20 0.61
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 3/20 0.56
LMNA P02545 3/20 0.51
POLB P06746 2/20 0.51
P4HTM Q9NXG6 2/20 0.50
NR1H4 Q96RI1 2/20 0.48
KMT2A Q03164 4/20 0.47
NAMPT P43490 2/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MCL1 Q07820 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CCR5 P51681 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
USP2 O75604 1/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL6930112 1.00 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL6929458 0.89 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL6929457 0.89 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL28958978 0.87 KMT2A (0.61) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL28958977 0.87 KMT2A (0.61) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL6926798 0.86 NR1H4 (0.66) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL6926156 0.86 NR1H4 (0.52) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL6926800 0.86 NR1H4 (0.66) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL6926157 0.86 NR1H4 (0.52) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL6929675 0.86 POLB (0.57) NPC1RAB9ASMN1; SMN2MAPTLMNA

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 NPC1 2628/4885RAB9A 2177/4885SMN1; SMN2 208/4885

“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.