SCHEMBL4975446

SCHEMBL4975446

O=CNCc1cccc(C(F)(F)F)c1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.43
CTSS P25774 1/20 0.41
CD38 P28907 1/20 0.40
AKR1B1 P15121 1/20 0.40
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH7 P40394 1/20 0.39
EPHX2 P34913 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
SCN8A Q9UQD0 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL29989103 1.00 P2RX7 (0.43) P2RX7CTSSCD38AKR1B1ADH1B
Acetic Acid SCHEMBL5586492 0.91 CTSS (0.47) P2RX7CTSSCD38EPHX2FFAR4
SCHEMBL3129448 0.84 ADH1B (0.47) ADH1BADH1CADH1AADH7EPHX2
SCHEMBL2575856 0.82 P2RX7 (0.48) P2RX7
SCHEMBL5536436 0.79 ADH1B (0.44) P2RX7AKR1B1ADH1BADH1CADH1A
SCHEMBL8226137 0.78 AKR1B1 (0.41) P2RX7CTSSCD38AKR1B1EPHX2
SCHEMBL377351 0.77 AKR1B1 (0.43) P2RX7CTSSCD38AKR1B1EPHX2
SCHEMBL13883998 0.77 P2RX7 (0.46) P2RX7CTSSCD38AKR1B1SCN8A
SCHEMBL12480863 0.76 HTT (0.41) P2RX7CD38AKR1B1ADH1BADH1C
SCHEMBL3294867 0.75 P2RX7 (0.57) P2RX7CD38EPHX2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122743-B1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AZEVAN PHARMACEUTICALS INC (US) 2022-11-09 EP claimed
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US disclosed
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AZEVAN PHARMACEUTICALS INC (US) 2023-04-20 US disclosed
US-11628160-B2 Compositions and methods for treating brain injury AZEVAN PHARMACEUTICALS, INC. (US) 2023-04-18 US disclosed
EP-3122743-B1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AZEVAN PHARMACEUTICALS INC (US) 2022-11-09 EP disclosed
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2022-05-03 US disclosed
EP-1434763-B1 BETA-LACTAMYL VASOPRESSIN V1A ANTAGONISTS AZEVAN PHARMACEUTICALS INC (US) 2018-01-17 EP disclosed
US-20080113959-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AZEVAN PHARMACEUTICALS, INC. (US) 2008-05-15 US disclosed
US-20080090797-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AZEVAN PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-20080033165-A1 [Beta]-Lactamyl Vasopressin V1a Antagonists and Methods of Use KOPPEL GARY A 2008-02-07 US disclosed
US-20060217364-A1 Beta-lactamyl vasopressin V1a antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-09-28 US disclosed
US-20040266750-A1 Beta-lactamyl vasopressin v1aantagonists AZEVAN PHARMACEUTICALS, INC. 2004-12-30 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 (9 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-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT P2RX7 2106/4885CTSS 150/4885CD38 1210/4885
US-20080090797-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AVPR1A, AVPR2, AVPR1B P2RX7 1568/4885CTSS 4254/4885CD38 779/4885
US-20060217364-A1 Beta-lactamyl vasopressin V1a antagonists AVPR1A, AVPR2, AVPR1B P2RX7 3530/4885CTSS 2905/4885CD38 472/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B P2RX7 1097/4885CTSS 505/4885CD38 319/4885
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B P2RX7 1097/4885CTSS 505/4885CD38 319/4885
US-20080113959-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AVPR1A, AVPR2, AVPR1B P2RX7 1568/4885CTSS 4254/4885CD38 779/4885
US-11628160-B2 Compositions and methods for treating brain injury FABP7, PYGB, CHAT P2RX7 2106/4885CTSS 150/4885CD38 1210/4885
US-20080033165-A1 [Beta]-Lactamyl Vasopressin V1a Antagonists and Methods of Use AVPR2, AVPR1A, AVPR1B P2RX7 3322/4885CTSS 2338/4885CD38 450/4885
US-20040266750-A1 Beta-lactamyl vasopressin v1aantagonists AVPR1A, AVPR2, AVPR1B P2RX7 2608/4885CTSS 2956/4885CD38 502/4885

“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.