SCHEMBL30905973

SCHEMBL30905973

COc1cc(Cl)c(B(O)O)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.45
ALDH1A1 P00352 3/20 0.39
ORAI1 Q96D31 1/20 0.39
ORAI2 Q96SN7 1/20 0.39
ORAI3 Q9BRQ5 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ERN1 O75460 1/20 0.36
TUBB4A P04350 3/20 0.36
TUBB P07437 3/20 0.36
TUBA3C P0DPH7 3/20 0.36
TUBA1B P68363 3/20 0.36
TUBA4A P68366 3/20 0.36
TUBB4B P68371 3/20 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
SCHEMBL2567303 1.00 ENPP2 (0.45) ENPP2ALDH1A1ORAI1ORAI2ORAI3
SCHEMBL29517531 0.89 NPC1 (0.52) ENPP2ALDH1A1ORAI1ORAI2ORAI3
SCHEMBL29952863 0.89 GAA (0.47) ENPP2ALDH1A1GAANPC1TAAR1
SCHEMBL15757679 0.89 GAA (0.47) ENPP2ALDH1A1GAANPC1TAAR1
SCHEMBL3576560 0.89 NPC1 (0.52) ENPP2ALDH1A1ORAI1ORAI2ORAI3
SCHEMBL27192016 0.85 ENPP2 (0.41) ENPP2ALDH1A1ORAI1ORAI2ORAI3
SCHEMBL5633312 0.85 ENPP2 (0.41) ENPP2ALDH1A1ORAI1ORAI2ORAI3
SCHEMBL29955855 0.85 ENPP2 (0.41) ENPP2ALDH1A1ORAI1ORAI2ORAI3
SCHEMBL30905956 0.84 ENPP2 (0.39) ENPP2ALDH1A1ORAI1ORAI2ORAI3
SCHEMBL12811542 0.84 ENPP2 (0.39) ENPP2ALDH1A1ORAI1ORAI2ORAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4719382-A1 INHIBITORS OF TYPE 1 METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM University of Washington (US) 2026-04-08 EP disclosed
US-12410183-B2 Sars-cov2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 US disclosed
WO-2024242729-A1 INHIBITORS OF TYPE 1 METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM UNIVERSITY OF WASHINGTON (US) 2024-11-28 WO disclosed
US-12091420-B2 SARS-COV2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2024-09-17 US disclosed
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 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-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE ENPP2 715/4885ALDH1A1 3259/4885ORAI1 1694/4885
US-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE ENPP2 715/4885ALDH1A1 3259/4885ORAI1 1694/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE ENPP2 715/4885ALDH1A1 3259/4885ORAI1 1694/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE ENPP2 715/4885ALDH1A1 3259/4885ORAI1 1694/4885

“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.