SCHEMBL2465684

SCHEMBL2465684

CNc1cc(F)c(C(=O)O)c(OCCCNC(=O)C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX1 P07099 1/20 0.38
CA14 Q9ULX7 2/20 0.36
CA3 P07451 2/20 0.36
CA5A P35218 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
EGFR P00533 2/20 0.35

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
SCHEMBL2436857 0.83 CA14 (0.38) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL2435297 0.80 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL2433726 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL14353059 0.79 PTPN1 (0.33) ALDH1A1KDM4E
SCHEMBL2436855 0.76 CA14 (0.46) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL17645637 0.66 SCN9A (0.44) ALDH1A1SMN1; SMN2KMT2ACA12CA2
SCHEMBL2435905 0.65 RARA (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ACA14
SCHEMBL2495444 0.65 MTNR1A (0.37) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL2436071 0.65 L3MBTL1 (0.50) ALDH1A1HPGDMTNR1AMTNR1BKDM4E
SCHEMBL21939120 0.65 CCNT1 (0.46) ALDH1A1SMN1; SMN2KDM4E

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 ALDH1A1 2987/4885SMN1; SMN2 271/4885POLB 4350/4885

“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.