SCHEMBL2432980

SCHEMBL2432980

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT5B P51692 3/20 0.46
ALDH1A1 P00352 3/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TSHR P16473 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
BRD4 O60885 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PAX8 Q06710 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL24072766 0.85 RXRB (0.42) STAT5BBRD4MEN1KMT2APAX8
SCHEMBL30339105 0.85 RXRB (0.42) STAT5BBRD4MEN1KMT2APAX8
SCHEMBL29276902 0.84 TSHR (0.44) STAT5BALDH1A1TSHRBRD4SMN1; SMN2
SCHEMBL18147237 0.81 ALDH1A1 (0.44) ALDH1A1BRD4MEN1KMT2AL3MBTL1
SCHEMBL655195 0.80 BRD4 (0.43) ALDH1A1BRD4MEN1KMT2ASMN1; SMN2
SCHEMBL8018111 0.79 PAX8 (0.55) TSHRBRD4MEN1KMT2ASMN1; SMN2
SCHEMBL27650496 0.78 BRD4 (0.42) BRD4PAX8KDM4EESR2
SCHEMBL27650503 0.78 NR1H4 (0.48) ALDH1A1CA12CA1CA2TSHR
SCHEMBL27630345 0.78 BRD4 (0.42) STAT5BALDH1A1TSHRBRD4MEN1
SCHEMBL31110077 0.77 DTYMK (0.46) ALDH1A1TSHRBRD4MEN1KMT2A

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 STAT5B 4227/4885ALDH1A1 2987/4885CA12 2909/4885

“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.