SCHEMBL29952344

SCHEMBL29952344

CCOc1ccc(Cl)c(B(O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.46
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.40
LTA4H P09960 1/20 0.40
ERN1 O75460 1/20 0.40
MCL1 Q07820 1/20 0.40
MAPT P10636 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TSHR P16473 1/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL544415 1.00 NQO1 (0.46) NQO1FFAR1FFAR4TAS1R3TAS1R1
SCHEMBL27192149 0.86 KDM4E (0.44) FFAR1FFAR4KMT2AKDM4ELTA4H
SCHEMBL29954821 0.86 KDM4E (0.47) FFAR1FFAR4KMT2AKDM4ELTA4H
SCHEMBL29957289 0.85 NQO1 (0.46) NQO1FFAR1FFAR4TAS1R3TAS1R1
SCHEMBL2322205 0.85 NQO1 (0.46) NQO1FFAR1FFAR4TAS1R3TAS1R1
SCHEMBL27192103 0.81 KMT2A (0.44) KMT2AMCL1MAPTPOLBMEN1
SCHEMBL27192252 0.81 KDM4E (0.44) FFAR4KDM4EMCL1TDP1POLB
SCHEMBL3786075 0.79 KDM4E (0.49) NQO1KMT2AKDM4ELTA4HMAPT
SCHEMBL4145654 0.79 NQO1 (0.48) NQO1KMT2AKDM4ELTA4HMAPT
SCHEMBL29469134 0.79 ENPP2 (0.48) KMT2AKDM4EERN1MCL1MAPT

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-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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 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 NQO1 2701/4885FFAR1 3944/4885FFAR4 4130/4885
US-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE NQO1 2701/4885FFAR1 3944/4885FFAR4 4130/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE NQO1 2701/4885FFAR1 3944/4885FFAR4 4130/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE NQO1 2701/4885FFAR1 3944/4885FFAR4 4130/4885

“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.