SCHEMBL3020722

SCHEMBL3020722

CC(C)(C)c1cc(C(O)=S)cc(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.50
GABRB2 P47870 1/20 0.50
RXRB P28702 7/20 0.44
RXRA P19793 6/20 0.44
RXRG P48443 4/20 0.44
MAPT P10636 2/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
BLM P54132 1/20 0.40
CASP7 P55210 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL1263606 0.78 GABRA1 (0.48) GABRA1GABRB2RXRBRXRARXRG
SCHEMBL3590702 0.78 GABRA1 (0.48) GABRA1GABRB2RXRBRXRARXRG
SCHEMBL3550108 0.75 CES2 (0.56) RXRBRXRARXRGMAPTGAA
SCHEMBL501957 0.75 RXRB (0.64) GABRA1GABRB2RXRBRXRARXRG
SCHEMBL8648310 0.75 SRD5A2 (0.54) MAPTMAPK1RARBRARGPOLB
SCHEMBL93161 0.74 GABRA1 (0.69) GABRA1GABRB2RXRBRXRARXRG
SCHEMBL41248 0.74 GABRA1 (0.55) GABRA1GABRB2RXRBRXRARXRG
SCHEMBL28949673 0.73 POLB (0.44) GABRA1GABRB2RXRBRXRARXRG
SCHEMBL28170145 0.73 RXRB (0.62) GABRA1GABRB2RXRBRXRARXRG
SCHEMBL5873298 0.73 RXRB (0.62) GABRA1GABRB2RXRBRXRARXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115698292-A Aptamers binding to thiamine analogs and derivatives 梅里特斯英国第二有限公司 2023-02-03 CN disclosed
US-20120277420-A1 REFINED ROUTES TO CHLORIN BUILDING BLOCKS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-8212055-B2 Refined routes to chlorin building blocks NORTH CAROLINA STATE UNIVERSITY (US) 2012-07-03 US disclosed
US-20100204465-A1 REFINED ROUTES TO CHLORIN BUILDING BLOCKS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-08-12 US disclosed
US-7678900-B2 Refined routes to chlorin building blocks NORTH CAROLINA STATE UNIVERSITY (US) 2010-03-16 US disclosed
US-20090069558-A1 REFINED ROUTES TO CHLORIN BUILDING BLOCKS NORTH CAROLINA STATE UNIVERSITY (US) 2009-03-12 US disclosed
US-7470785-B2 Refined routes to chlorin building blocks NORTH CAROLINA STATE UNIVERSITY (US) 2008-12-30 US disclosed
US-6946552-B2 Refined routes to chlorin building blocks NORTH CAROLINA STATE UNIVERSITY (US) 2005-09-20 US disclosed
US-20050165228-A1 Refined routes to chlorin building blocks NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-07-28 US disclosed
US-20030096989-A1 Refined routes to chlorin building blocks NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-22 US disclosed
WO-2002092601-A1 REFINED ROUTES TO CHLORIN BUILDING BLOCKS NORTH CAROLINA STATE UNIVERSITY (US) 2002-11-21 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 (5 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-20090069558-A1 REFINED ROUTES TO CHLORIN BUILDING BLOCKS DHFR, DDT, SHARPIN GABRA1 2685/4885GABRB2 1322/4885RXRB 1708/4885
US-20050165228-A1 Refined routes to chlorin building blocks DHFR, DDT, SHARPIN GABRA1 2685/4885GABRB2 1322/4885RXRB 1708/4885
US-20100204465-A1 REFINED ROUTES TO CHLORIN BUILDING BLOCKS DHFR, DDT, SHARPIN GABRA1 2685/4885GABRB2 1322/4885RXRB 1708/4885
US-20120277420-A1 REFINED ROUTES TO CHLORIN BUILDING BLOCKS DHFR, DDT, SHARPIN GABRA1 2685/4885GABRB2 1322/4885RXRB 1708/4885
US-20030096989-A1 Refined routes to chlorin building blocks DHFR, DDT, SHARPIN GABRA1 2685/4885GABRB2 1322/4885RXRB 1708/4885

“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.