SCHEMBL2432970

SCHEMBL2432970

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.48
RARA P10276 4/20 0.48
RARG P13631 2/20 0.48
ABCC9 O60706 1/20 0.43
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
KCNJ8 Q15842 1/20 0.43
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
RXRA P19793 1/20 0.40
HDAC1 Q13547 2/20 0.40
PTGFR P43088 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
XDH P47989 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
GRIK1 P39086 1/20 0.39
NPC1 O15118 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
SCHEMBL22049758 0.83 GAA (0.56) ABCC9ABCC8KCNJ11KCNJ8HDAC1
SCHEMBL27921196 0.83 DGAT1 (0.55) ABCC9ABCC8KCNJ11KCNJ8HDAC1
SCHEMBL709947 0.82 HSD17B10 (0.47) AKR1C3AKR1C2NPC1RAB9AKMT2A
SCHEMBL4833247 0.81 SMN1; SMN2 (0.46) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL1966151 0.81 HDAC1 (0.58) RARBRARARARGHDAC1NPC1
SCHEMBL27761964 0.81 KDM4E (0.58) RARBRARARARGABCC9ABCC8
SCHEMBL15790439 0.81 RARA (0.51) RARBRARARARGABCC9ABCC8
SCHEMBL8829073 0.80 RARB (0.46) RARBRARARARGEPHX2NR1H4
SCHEMBL753288 0.80 EPHX2 (0.46) RARBRARARARGABCC9ABCC8
SCHEMBL10033272 0.79 RARA (0.50) RARBRARARARGABCC9ABCC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220541-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-11-16 WO disclosed
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
CN-102971294-A Related inhibitors of urethane, urea, amidines, and factor Xa TOVBIN DMITRY GENNADIEVICH 2013-03-13 CN 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 RARB 4390/4885RARA 3908/4885RARG 3798/4885

“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.