SCHEMBL21189320

SCHEMBL21189320

O=C(O)CCSc1ccccc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.68
RAB9A P51151 4/20 0.57
POLB P06746 5/20 0.57
NPC1 O15118 3/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
GAA P10253 1/20 0.50
HSP90AA1 P07900 1/20 0.50
PTPRG P23470 1/20 0.49
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 2/20 0.48
LMNA P02545 2/20 0.48
ICMT O60725 1/20 0.48
GMNN O75496 1/20 0.48
TRPA1 O75762 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL6231914 0.88 CYP1A2 (0.71) CYP1A2RAB9APOLBNPC1CA12
SCHEMBL26445663 0.86 CYP1A2 (0.60) CYP1A2RAB9APOLBNPC1CA12
SCHEMBL6231027 0.85 CYP1A2 (0.67) CYP1A2RAB9APOLBNPC1CA12
SCHEMBL6232508 0.85 CYP1A2 (0.67) CYP1A2RAB9APOLBNPC1CA12
SCHEMBL6234337 0.83 CYP1A2 (0.65) CYP1A2RAB9APOLBNPC1CA12
SCHEMBL6232251 0.83 CYP1A2 (0.65) CYP1A2RAB9APOLBNPC1CA12
SCHEMBL9658167 0.83 CYP1A2 (0.65) CYP1A2RAB9APOLBNPC1CA12
SCHEMBL6232914 0.83 CYP1A2 (0.65) CYP1A2RAB9APOLBNPC1CA12
SCHEMBL6234990 0.83 CYP1A2 (0.65) CYP1A2RAB9APOLBNPC1CA12
SCHEMBL5121171 0.82 ALDH1A1 (0.48) CYP1A2POLBGAAALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2021-05-11 US disclosed
US-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2019-07-25 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 (2 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-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME CBX8, HAVCR2, HCCS CYP1A2 530/4885RAB9A 1393/4885POLB 731/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS CYP1A2 530/4885RAB9A 1393/4885POLB 731/4885

“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.