SCHEMBL3750480

SCHEMBL3750480

Cc1ccc(-c2ccc(C(=O)OC(C)(C)C)c(Cl)n2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 7/20 0.48
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
SLC6A3 Q01959 1/20 0.36
DHODH Q02127 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
GRIN2B Q13224 1/20 0.34

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
SCHEMBL3750668 0.86 SMN1; SMN2 (0.53) KMONPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13053992 0.85 NPC1 (0.39) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL3758452 0.82 KMO (0.58) KMORAB9ASMN1; SMN2KEAP1NFE2L2
SCHEMBL3757979 0.78 KMO (0.41) KMONPC1RAB9ASMN1; SMN2MAPT
SCHEMBL489515 0.76 SLC6A3 (0.47) KMOSLC6A3
SCHEMBL3540349 0.75 KEAP1 (0.57) NFKB1NFKB2RELAAAK1KEAP1
SCHEMBL31547621 0.75 MAPT (0.57) KMONPC1RAB9ASMN1; SMN2MAPT
SCHEMBL29862091 0.74 AAK1 (0.41) AAK1
SCHEMBL17647428 0.74 AAK1 (0.41) AAK1
SCHEMBL23345398 0.73 EGFR (0.43) SMN1; SMN2MAPTCNR2

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 3 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

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 533/4885NPC1 383/4885RAB9A 4505/4885

“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.