SCHEMBL21045764

SCHEMBL21045764

O=C(O)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.30
SRC P12931 1/20 0.30

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
SCHEMBL28108170 0.97 CA2 (0.33) CA2SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL1794070 0.85 TSHR (0.41) TSHR
Benzene SCHEMBL9474100 0.81 TSHR (0.38) TSHRTP53SRC
SCHEMBL4896921 0.75 PDE4A (0.48) TDP1
SCHEMBL11276029 0.74 TSHR (0.33) CA2TSHRTDP1TP53
SCHEMBL28236598 0.74 CA1 (0.43) CA2SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL6523961 0.74 ALDH1A1 (0.46) SLC1A3SLC1A2SLC1A1TSHRTP53
SCHEMBL31149010 0.72 TP53 (0.36) CA2TDP1TP53
SCHEMBL2329722 0.72 TP53 (0.36) CA2TDP1TP53
Ammonia Solution, Strong SCHEMBL1584317 0.70 TP53 (0.35) CA2TDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49699-E1 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-17 US disclosed
EP-3700902-B1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INT (DE) 2023-03-08 EP disclosed
EP-3786160-B1 PYRIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF AS TRPC6 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2022-07-13 EP disclosed
US-20210163449-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-06-03 US disclosed
EP-3786160-A1 PYRIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF AS TRPC6 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2021-03-03 EP disclosed
US-10889568-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-12 US disclosed
US-10800757-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-10-13 US disclosed
EP-3700902-A1 PYRIDINE CARBONYL DERIVATIVES AND THERAPEUTIC USES THEREOF AS TRPC6 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2020-09-02 EP disclosed
US-20190169168-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-06-06 US disclosed
US-20190169167-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2019-06-06 US 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 (5 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-20190169168-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 CA2 308/4885SLC1A3 1020/4885SLC1A2 1341/4885
US-20210163449-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 CA2 271/4885SLC1A3 936/4885SLC1A2 1211/4885
US-10889568-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC7 CA2 308/4885SLC1A3 1020/4885SLC1A2 1341/4885
US-20190169167-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 CA2 308/4885SLC1A3 1020/4885SLC1A2 1341/4885
US-10800757-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC7 CA2 308/4885SLC1A3 1020/4885SLC1A2 1341/4885

“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.