SCHEMBL21274783

SCHEMBL21274783

O=C(O)c1ccc(Oc2ccc(F)cc2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.51
XDH P47989 1/20 0.51
S1PR2 O95136 1/20 0.49
POLB P06746 2/20 0.49
SRD5A2 P31213 1/20 0.47
DHODH Q02127 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
SCN9A Q15858 1/20 0.45
PPARA Q07869 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER2 P43116 1/20 0.43
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
NR4A2 P43354 1/20 0.42
HPSE Q9Y251 1/20 0.42
APEX1 P27695 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KEAP1 Q14145 1/20 0.42

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
SCHEMBL27245275 0.89 SRD5A2 (0.57) POLBSRD5A2DHODHLTA4H
SCHEMBL524088 0.87 POLB (0.63) XDHPOLBDHODHHPSEAPEX1
SCHEMBL31522070 0.87 SOS1 (0.49) MAOBXDHS1PR2POLBSRD5A2
SCHEMBL24407665 0.84 XDH (0.64) MAOBXDHPOLBDHODH
SCHEMBL6149918 0.84 MAOB (0.66) MAOBXDHS1PR2CES2CES1
SCHEMBL3142992 0.83 S1PR2 (0.51) XDHS1PR2POLBDHODHSCN9A
SCHEMBL16319184 0.81 KMO (0.56) MAOBPOLBSRD5A2SCN9APPARA
SCHEMBL21274571 0.81 HPGD (0.52) MAOBS1PR2CES2CES1SCN9A
SCHEMBL16506909 0.81 LPAR1 (0.57) POLB
SCHEMBL4422282 0.80 MAOB (0.78) MAOBPPARANR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111868055-B Inhibitors of TRPC6 勃林格殷格翰国际有限公司 2024-03-08 CN disclosed
US-11370771-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-06-28 US disclosed
US-11370771-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-06-28 US disclosed
US-20210053935-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-25 US disclosed
US-20210053935-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-25 US disclosed
EP-3752503-A1 INHIBITORS OF TRPC6 Boehringer Ingelheim International GmbH (DE) 2020-12-23 EP disclosed
CN-111868055-A Inhibitors of TRPC6 勃林格殷格翰国际有限公司 2020-10-30 CN disclosed
WO-2019161010-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-22 WO disclosed
WO-2019161010-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-22 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 (2 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-20210053935-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC4 MAOB 900/4885XDH 3063/4885S1PR2 578/4885
US-11370771-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC4 MAOB 900/4885XDH 3063/4885S1PR2 578/4885

“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.