Sugi Predict

Sugi Predict / Compounds / SCHEMBL831040

SCHEMBL831040

SCHEMBL831040

CCc1nc(Cl)cc(CC(C)C)c1C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33

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
SCHEMBL831416 0.82 MAPT (0.43) LMNAKDM4EALDH1A1MAPTADORA3
SCHEMBL830293 0.78 ADORA3 (0.41) ALDH1A1MAPTADORA3POLBSMN1; SMN2
SCHEMBL832148 0.78 TRPV3 (0.36) LMNAALDH1A1ADORA3POLBMAPK1
SCHEMBL2129432 0.76 NR1H2 (0.47) LMNAKDM4EALDH1A1MAPTGAA
SCHEMBL831717 0.74 CNR2 (0.41) ADORA3POLBGSK3BCNR2
SCHEMBL831980 0.74 ALDH1A1 (0.49) LMNAKDM4EALDH1A1MAPTGAA
SCHEMBL830487 0.74 SLC6A3 (0.39) MAPTPOLB
SCHEMBL8032664 0.72 CNR2 (0.42) LMNAKDM4EALDH1A1MAPTNPSR1
SCHEMBL21679540 0.70 KDM4E (0.39) LMNAKDM4EALDH1A1NPSR1MAPK1
SCHEMBL30416018 0.70 KDM4E (0.39) LMNAKDM4EALDH1A1NPSR1MAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143411-B2 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2012-03-27 — — US disclosed
US-8143411-B2 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2012-03-27 — — US disclosed
US-8143411-B2 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2012-03-27 — — US disclosed
US-20100234432-A1 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2010-09-16 — — US disclosed
US-20100234432-A1 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2010-09-16 — — US disclosed
US-20100234432-A1 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2010-09-16 — — US disclosed
WO-2009033561-A1 SUBSTITUTED 6-PHEYLNICOTINIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-19 — — 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-20100234432-A1 Substituted 6-phenylnicotinic acids and their use SLC5A6, FABP3, NAPRT LMNA 522/4885KDM4E 3571/4885ALDH1A1 1238/4885

“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.