SCHEMBL3113442

SCHEMBL3113442

Cc1ccc(COc2ccc(-c3ccc(C=NOCC(=O)O)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
SPHK2 Q9NRA0 1/20 0.49
SPHK1 Q9NYA1 1/20 0.49
FFAR1 O14842 6/20 0.48
MAOB P27338 1/20 0.48
PARP10 Q53GL7 1/20 0.47
LMNA P02545 3/20 0.47
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL3113435 1.00 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL3110297 0.89 FFAR1 (0.56) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL3115544 0.89 FFAR1 (0.51) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL3110307 0.89 FFAR1 (0.56) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL3115554 0.89 FFAR1 (0.51) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL3110984 0.89 GSK3B (0.54) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL3110979 0.89 GSK3B (0.54) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL3115372 0.87 NR4A2 (0.54) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL3115382 0.87 NR4A2 (0.54) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL3105582 0.86 MAOB (0.52) NPC1RAB9AFFAR1MAOBLMNA

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-20080312308-A1 SUBSTITUTED ACETIC ACID DERIVATIVES WYETH (US) 2008-12-18 US claimed
US-20060247298-A1 Substituted acetic acid derivatives WYETH (US) 2006-11-02 US claimed
US-7803835-B2 Substituted acetic acid derivatives WYETH LLC (US) 2010-09-28 US disclosed
US-20080312308-A1 SUBSTITUTED ACETIC ACID DERIVATIVES WYETH (US) 2008-12-18 US disclosed
US-7411083-B2 Substituted acetic acid derivatives WYETH (US) 2008-08-12 US disclosed
US-20060247298-A1 Substituted acetic acid derivatives WYETH (US) 2006-11-02 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 (2 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-20080312308-A1 SUBSTITUTED ACETIC ACID DERIVATIVES AADAC, ACACA, AANAT SMN1; SMN2 4152/4885NPC1 3290/4885RAB9A 1361/4885
US-20060247298-A1 Substituted acetic acid derivatives AADAC, ACACA, AANAT SMN1; SMN2 4152/4885NPC1 3290/4885RAB9A 1361/4885

“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.