SCHEMBL24254460

SCHEMBL24254460

O=C(c1cccs1)n1cccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.56
▸ CES2 O00748 1/20 0.56
▸ CES1 P23141 1/20 0.56
▸ DAO P14920 1/20 0.54
▸ GSK3B P49841 1/20 0.52
▸ KMT2A Q03164 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HSD17B10 Q99714 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGDS O60760 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL27848230 0.80 CES2 (0.63) GAACES2CES1DAOGSK3B
SCHEMBL11716133 0.78 ALDH1A1 (0.49) GAACES2CES1DAOGSK3B
SCHEMBL1155775 0.76 HPGD (0.44) CES2CES1GSK3BALDH1A1NPC1
SCHEMBL11293119 0.75 GAA (0.85) GAAKMT2AALDH1A1LMNAHSD17B10
SCHEMBL1066873 0.72 CES2 (1.00) GAACES2CES1DAOGSK3B
SCHEMBL182010 0.72 CES2 (0.71) GAACES2CES1DAOGSK3B
SCHEMBL2666138 0.72 GAA (1.00) GAAKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL5746594 0.72 ALDH1A1 (0.50) GAACES2CES1DAOGSK3B
SCHEMBL14134416 0.71 GAA (0.96) GAAKMT2AALDH1A1NPC1RAB9A
Thiophene Carboxylic Acid SCHEMBL83000 0.70 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257373-A1 QUORUM SENSING INHIBITORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH 2023-08-17 — — US claimed
EP-4196108-A1 QUORUM SENSING INHIBITORS AND METHODS OF USE The Trustees of Indiana University (US) 2023-06-21 — — EP claimed
WO-2022036282-A1 QUORUM SENSING INHIBITORS AND METHODS OF USE THE TRUSTEES OF INDIANA UNIVERSITY (US) 2022-02-17 — — WO claimed
US-20230257373-A1 QUORUM SENSING INHIBITORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH 2023-08-17 — — US disclosed
US-20230257373-A1 QUORUM SENSING INHIBITORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH 2023-08-17 — — US disclosed
US-20230257373-A1 QUORUM SENSING INHIBITORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH 2023-08-17 — — US disclosed
EP-4196108-A1 QUORUM SENSING INHIBITORS AND METHODS OF USE The Trustees of Indiana University (US) 2023-06-21 — — EP disclosed
WO-2022036282-A1 QUORUM SENSING INHIBITORS AND METHODS OF USE THE TRUSTEES OF INDIANA UNIVERSITY (US) 2022-02-17 — — WO disclosed
WO-2022036282-A1 QUORUM SENSING INHIBITORS AND METHODS OF USE THE TRUSTEES OF INDIANA UNIVERSITY (US) 2022-02-17 — — WO 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 (1 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-20230257373-A1 QUORUM SENSING INHIBITORS AND METHODS OF USE PGLS, BLVRB, CGAS GAA 1596/4885CES2 2150/4885CES1 2297/4885

“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.

Send feedback