SCHEMBL3755033

SCHEMBL3755033

Cc1cccc(-c2ccc(C(=O)O)c(Oc3ccccc3Cl)n2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.46
CD274 Q9NZQ7 2/20 0.46
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
IDO1 P14902 1/20 0.39
MYC P01106 1/20 0.39
CTSA P10619 2/20 0.39
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
CRHBP P24387 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
CRHR2 Q13324 1/20 0.38
TRPM4 Q8TD43 1/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL3747417 0.88 ALDH1A1 (0.46) PDCD1CD274ALDH1A1KDM4EHPGD
SCHEMBL3755130 0.83 KMO (0.44) PDCD1CD274ALDH1A1KDM4EHPGD
SCHEMBL3759883 0.82 KMO (0.46) PDCD1CD274ALDH1A1KDM4EHPGD
SCHEMBL3752621 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL3751988 0.80 ALDH1A1 (0.37) PDCD1CD274ALDH1A1KDM4EMAPT
SCHEMBL13054024 0.79 ALDH1A1 (0.43) ALDH1A1MAPTNPSR1IDO1HTT
SCHEMBL3752101 0.78 SMN1; SMN2 (0.47) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL3755086 0.77 SMN1; SMN2 (0.46) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL3753803 0.77 ALDH1A1 (0.43) PDCD1CD274ALDH1A1KDM4EHPGD
SCHEMBL3759839 0.76 HPGDS (0.42) ALDH1A1KDM4EHPGDMAPTNPSR1

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 PDCD1 2354/4885CD274 1943/4885ALDH1A1 1855/4885

“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.