SCHEMBL3345586

SCHEMBL3345586

CCOC(=O)c1cnc(-c2ccc(Br)cc2F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.49
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
JMJD6 Q6NYC1 1/20 0.45
ALOX5 P09917 3/20 0.44
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.43
THRB P10828 1/20 0.43
PTGES O14684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRB2 P47870 1/20 0.41

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
SCHEMBL3342017 0.85 SYK (0.43) SYKNPC1RAB9AMEN1KMT2A
SCHEMBL3341192 0.77 ALDH1A1 (0.54) NPC1RAB9AMEN1KMT2AJMJD6
SCHEMBL3344136 0.76 BAZ2B (0.46) NPC1RAB9AMEN1KMT2AJMJD6
SCHEMBL4970826 0.75 KDM4E (0.47) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL3340790 0.75 ALPL (0.53) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL3341133 0.74 JAK2 (0.53) NPC1RAB9AMEN1KMT2AJMJD6
SCHEMBL3846563 0.74 CYP4F2 (0.55) THRBALDH1A1SMN1; SMN2GABRA1GABRB1
SCHEMBL719657 0.74 DGAT1 (0.54) NPC1ALOX5PTGESALDH1A1SMN1; SMN2
SCHEMBL5623989 0.73 MAP2K1 (0.49) SYKNPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL31426389 0.73 DGAT1 (0.53) NPC1ALOX5PTGESALDH1A1SMN1; SMN2

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-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-06-24 US disclosed
US-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-06-24 US disclosed
US-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-06-24 US disclosed
WO-2008031500-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS 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-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS PPARA, PPARD, PPARG SYK 2169/4885NPC1 823/4885RAB9A 4404/4885

“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.