SCHEMBL2432817

SCHEMBL2432817

CC(=O)NCCCOc1cc(N(C)C(=O)C(F)(F)F)ccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 12/20 0.43
MTNR1A P48039 11/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SYK P43405 2/20 0.41
PDK2 Q15119 1/20 0.41
FOLH1 Q04609 1/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL2435289 0.91 MTNR1A (0.38) MTNR1BMTNR1ARAB9A
SCHEMBL2495444 0.81 MTNR1A (0.37) MTNR1BMTNR1ARAB9A
SCHEMBL2440414 0.79 CA14 (0.46) MTNR1BMTNR1ARAB9A
SCHEMBL2434386 0.76 ALDH1A1 (0.54) MTNR1BMTNR1AL3MBTL1USP2ALOX15
SCHEMBL14354369 0.76 SYK (0.43) MTNR1BMTNR1AL3MBTL1USP2ALOX15
SCHEMBL2436071 0.75 L3MBTL1 (0.50) MTNR1BMTNR1AL3MBTL1USP2ALOX15
SCHEMBL2432981 0.74 F10 (0.55)
SCHEMBL2435297 0.72 ALDH1A1 (0.36) MTNR1BMTNR1A
SCHEMBL2434816 0.71 RXRA (0.43) L3MBTL1USP2HSD17B10
SCHEMBL2434310 0.71 ACHE (0.44) MTNR1BMTNR1AL3MBTL1USP2ALOX15

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 MTNR1B 4530/4885MTNR1A 4418/4885L3MBTL1 2694/4885

“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.