SCHEMBL20333378

SCHEMBL20333378

CC(C)OC(Cc1ccc(C(F)(F)F)cc1)(C(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.43
SRD5A2 P31213 1/20 0.41
MAOB P27338 1/20 0.40
FFAR1 O14842 5/20 0.40
PPARA Q07869 3/20 0.40
PPARG P37231 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 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
SCHEMBL20333945 0.83 EPHX1 (0.49) MAOBPPARAPPARGL3MBTL1
SCHEMBL20333729 0.83 ITGB1 (0.40)
SCHEMBL20350468 0.82 TSHR (0.47) PTPN1PPARAPPARG
SCHEMBL20333376 0.81 KMT2A (0.46) SRD5A2L3MBTL1
SCHEMBL24835822 0.81 MME (0.40) FFAR1
SCHEMBL21602081 0.80 PDCD1 (0.45) FFAR1PPARAPPARG
SCHEMBL20350670 0.80 PPARA (0.43) PTPN1SRD5A2MAOBPPARAPPARG
SCHEMBL20350676 0.79 FFAR1 (0.47) FFAR1L3MBTL1
SCHEMBL24836153 0.79 PARP10 (0.46) MAOB
SCHEMBL22216639 0.78 RARB (0.46) SRD5A2

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-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2020-02-25 US disclosed
US-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2018-07-05 US disclosed
WO-2018119284-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2018-06-28 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 (2 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-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 PTPN1 2175/4885SRD5A2 2460/4885MAOB 96/4885
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 PTPN1 2175/4885SRD5A2 2460/4885MAOB 96/4885

“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.