SCHEMBL2434816

SCHEMBL2434816

CN(C(=O)C(F)(F)F)c1ccc(C(=O)O)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.43
RXRB P28702 3/20 0.43
RXRG P48443 2/20 0.43
GAA P10253 1/20 0.38
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
RARB P10826 3/20 0.37
RARA P10276 2/20 0.37
RARG P13631 1/20 0.37
GRM5 P41594 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 1/20 0.35
STAT3 P40763 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 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
SCHEMBL23389221 0.80 RXRA (0.49) RXRARXRBRXRGEPHX2NR1H4
SCHEMBL8281093 0.79 HDAC1 (0.39) GRM5KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL29321202 0.79 GRM5 (0.39) NR1H4GRM5ALDH1A1MAPTSMN1; SMN2
SCHEMBL9790442 0.75 NPC1 (0.47) RXRARXRBRXRGGAAALDH1A1
SCHEMBL7688037 0.73 RXRA (0.44) RXRARXRBRXRGALDH1A1MAPT
SCHEMBL4746141 0.72 KMT2A (0.51) KDM4EALDH1A1SMN1; SMN2CYP2C19MEN1
SCHEMBL21477233 0.72 MAPT (0.46) GAAGRM5KDM4EALDH1A1HSD17B10
SCHEMBL15562757 0.72 ALDH1A1 (0.45) GAAALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL2432817 0.71 MTNR1B (0.43) HSD17B10USP2L3MBTL1
SCHEMBL2435289 0.71 MTNR1A (0.38) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2542529-B1 URETHANES, UREAS, AMIDINES AND RELATED INHIBITORS OF FACTOR XA LLC PHARMADIALL (RU) 2019-09-04 EP disclosed
US-9708265-B2 Urethanes, ureas, amidines and related inhibitors of factor Xa PHARMADIALL LIMITED LIABILITY COMPANY (RU) 2017-07-18 US disclosed
EP-2542529-A1 URETHANES, UREAS, AMIDINES AND RELATED INHIBITORS OF FACTOR XA Tovbin, Dmitry Gennadievich (RU) 2013-01-09 EP disclosed
US-20130005778-A1 URETHANES, UREAS, AMIDINES AND RELATED INHIBITORS OF FACTOR XA PHARMADIALL LIMITED LIABILITY COMPANY (RU) 2013-01-03 US disclosed
WO-2011108963-A1 URETHANES, UREAS, AMIDINES AND RELATED INHIBITORS OF FACTOR XA TOVBIN DMITRY GENNADIEVICH (RU) 2011-09-09 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-20130005778-A1 URETHANES, UREAS, AMIDINES AND RELATED INHIBITORS OF FACTOR XA PLAUR, PLAU, UTS2R RXRA 2495/4885RXRB 2793/4885RXRG 2232/4885

“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.