SCHEMBL3757979

SCHEMBL3757979

Cc1ccc(-c2ccc(C(=O)OC(C)(C)C)c(Oc3ccc(Br)cc3F)n2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.41
AAK1 Q2M2I8 6/20 0.39
RXFP1 Q9HBX9 1/20 0.37
USP30 Q70CQ3 1/20 0.34
EPRS1 P07814 1/20 0.34
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
NR3C1 P04150 1/20 0.33
PTGS2 P35354 4/20 0.32
PTGS1 P23219 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL3749422 0.87 RXFP1 (0.49) KMORXFP1EPRS1SMN1; SMN2
SCHEMBL3750480 0.78 KMO (0.48) KMOAAK1NPC1CASP3RAB9A
SCHEMBL13053997 0.72 ALDH1A1 (0.39) AAK1EPRS1ALDH1A1
SCHEMBL643318 0.72 DGAT1 (0.54) AAK1USP30NPC1RAB9ASMN1; SMN2
SCHEMBL3747199 0.71 SMN1; SMN2 (0.42) KMORXFP1NPC1CASP3RAB9A
SCHEMBL489515 0.69 SLC6A3 (0.47) KMO
SCHEMBL3747338 0.69 SMN1; SMN2 (0.42) KMORXFP1NPC1CASP3RAB9A
SCHEMBL3745600 0.68 KMO (0.47) KMOALDH1A1MAPTSCN9A
SCHEMBL277358 0.68 AAK1 (0.43) AAK1USP30NPC1RAB9ASMN1; SMN2
SCHEMBL1605808 0.68 MAPT (0.43) AAK1NPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
WO-2008031501-A2 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-20 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-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF NAPRT, PNPO, FABP3 KMO 533/4885AAK1 2272/4885RXFP1 2024/4885

“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.