SCHEMBL30905960

SCHEMBL30905960

COc1cc(B(O)O)c(C)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.45
ORAI1 Q96D31 1/20 0.39
ORAI2 Q96SN7 1/20 0.39
ORAI3 Q9BRQ5 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
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
TUBB3 Q13509 3/20 0.36
TUBB2A Q13885 3/20 0.36
TUBB8 Q3ZCM7 3/20 0.36
TUBA3E Q6PEY2 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
SCHEMBL5859114 0.91 ENPP2 (0.45) ENPP2ORAI1ORAI2ORAI3TAAR1
SCHEMBL29956202 0.91 ENPP2 (0.45) ENPP2ORAI1ORAI2ORAI3TAAR1
SCHEMBL3480772 0.88 ENPP2 (0.46) ENPP2ORAI1ORAI2ORAI3TAAR1
SCHEMBL23406340 0.86 ENPP2 (0.45) ENPP2ORAI1ORAI2ORAI3TAAR1
SCHEMBL2944643 0.81 ENPP2 (0.41) ENPP2ORAI1ORAI2ORAI3TAAR1
SCHEMBL27192016 0.81 ENPP2 (0.41) ENPP2ORAI1ORAI2ORAI3TAAR1
SCHEMBL3298576 0.78 ENPP2 (0.54) ENPP2ORAI1ORAI2ORAI3MAPT
SCHEMBL12330214 0.77 TAAR1 (0.48) TAAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL5633312 0.77 ENPP2 (0.41) ENPP2ORAI1ORAI2ORAI3TAAR1
SCHEMBL6082642 0.77 GAA (0.44) ENPP2TAAR1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 715/4885ORAI1 1694/4885ORAI2 307/4885
US-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE ENPP2 715/4885ORAI1 1694/4885ORAI2 307/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE ENPP2 715/4885ORAI1 1694/4885ORAI2 307/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE ENPP2 715/4885ORAI1 1694/4885ORAI2 307/4885

“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.