SCHEMBL21979751

SCHEMBL21979751

OB(O)c1ccc(F)cc1.OB(O)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 1/20 0.68
ORAI2 Q96SN7 1/20 0.68
ORAI3 Q9BRQ5 1/20 0.68
TRPV6 Q9H1D0 1/20 0.68
ENPP2 Q13822 5/20 0.55
CA2 P00918 5/20 0.52
CA1 P00915 4/20 0.52
LPL P06858 2/20 0.52
LIPG Q9Y5X9 2/20 0.52
TSHR P16473 1/20 0.52
MGLL Q99685 2/20 0.52
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
KDM4E B2RXH2 1/20 0.46
F11 P03951 1/20 0.44

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
SCHEMBL5508 1.00 ORAI1 (0.68) ORAI1ORAI2ORAI3TRPV6ENPP2
SCHEMBL18839425 0.97 ORAI1 (0.65) ORAI1ORAI2ORAI3TRPV6ENPP2
SCHEMBL2551749 0.92 CA2 (0.61) ORAI1ORAI2ORAI3TRPV6ENPP2
Phenylboronic Acid SCHEMBL28610016 0.89 ENPP2 (0.70) ORAI1ORAI2ORAI3TRPV6ENPP2
SCHEMBL13806989 0.87 ORAI1 (0.54) ORAI1ORAI2ORAI3TRPV6ENPP2
SCHEMBL257871 0.85 CA2 (0.65) ORAI1ORAI2ORAI3TRPV6ENPP2
SCHEMBL22609233 0.85 ORAI1 (0.52) ORAI1ORAI2ORAI3TRPV6ENPP2
Bicarbonate SCHEMBL28930263 0.85 ORAI1 (0.52) ORAI1ORAI2ORAI3TRPV6ENPP2
SCHEMBL31514900 0.83 LTA4H (0.55) ORAI1ORAI2ORAI3TRPV6CA2
SCHEMBL204921 0.83 ENPP2 (0.73) ENPP2CA2CA1LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11891393-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-02-06 US disclosed
US-20230075366-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARM INC (US) 2023-03-09 US disclosed
US-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
EP-3883570-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS Enanta Pharmaceuticals, Inc. (US) 2021-09-29 EP disclosed
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-05-28 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 (4 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-11891393-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF ORAI1 3981/4885ORAI2 2761/4885ORAI3 2407/4885
US-20230075366-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF ORAI1 3981/4885ORAI2 2761/4885ORAI3 2407/4885
US-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF ORAI1 3981/4885ORAI2 2761/4885ORAI3 2407/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF ORAI1 3981/4885ORAI2 2761/4885ORAI3 2407/4885

“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.