SCHEMBL3752597

SCHEMBL3752597

COc1cccc(-c2cc(C(F)(F)F)c(C(=O)O)c(Cl)n2)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
ADORA1 P30542 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
DHODH Q02127 2/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KMT2A Q03164 1/20 0.38
KMO O15229 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MITF O75030 1/20 0.38
STAT3 P40763 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
SCHEMBL3757598 0.87 ADORA2A (0.39) ADORA2AGPBAR1ADORA1DHODHAKR1C3
SCHEMBL3747394 0.86 KMO (0.39) ADORA2AGPBAR1ADORA1DHODHAKR1C3
SCHEMBL3750094 0.78 ADORA2A (0.48) ADORA2AADORA1DHODHKMT2AADORA3
SCHEMBL3755649 0.76 DHODH (0.47) ADORA2AADORA1CA12CA1CA2
SCHEMBL3752343 0.76 GPBAR1 (0.36) ADORA2AGPBAR1ADORA1AKR1C3AKR1C2
SCHEMBL3752748 0.76 CTSA (0.38) KMOPPARGRORC
SCHEMBL3752403 0.75 ADORA2A (0.41) ADORA2AADORA1CA12CA1CA2
SCHEMBL3747109 0.74 KDM4E (0.40) GPBAR1LMNAHPGDKDM4ERORC
SCHEMBL25148603 0.74 ALDH1A1 (0.51) ADORA2AADORA1LMNAHPGDKMT2A
SCHEMBL8213830 0.72 ADORA2A (0.39) ADORA2AADORA1DHODHHPGDKMT2A

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 1 patent. 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

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 ADORA2A 509/4885GPBAR1 559/4885ADORA1 454/4885

“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.