SCHEMBL2433726

SCHEMBL2433726

CNc1ccc(C(=O)O)c(OCCCNC(=O)C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
EPHX1 P07099 1/20 0.38
NQO2 P16083 2/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
SYK P43405 1/20 0.38
PTK2 Q05397 2/20 0.38
EPHX2 P34913 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
SCHEMBL2436071 0.86 L3MBTL1 (0.50) ALDH1A1HPGDMTNR1AMTNR1BSYK
SCHEMBL2433961 0.82 MELK (0.47) ALDH1A1POLBMEN1KMT2ACYP2C9
SCHEMBL2495444 0.80 MTNR1A (0.37) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL2465684 0.80 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2GLAHPGDALOX12
SCHEMBL2435289 0.79 MTNR1A (0.38) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL14354369 0.77 SYK (0.43) ALDH1A1SMN1; SMN2GLAMTNR1AMTNR1B
SCHEMBL2440414 0.76 CA14 (0.46) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL24510620 0.74 EPHX2 (0.44) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL2434310 0.72 ACHE (0.44) MTNR1AMTNR1BSYKCA12CA2
SCHEMBL6428728 0.71 CTSV (0.58) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 271/4885GLA 411/4885

“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.