Sugi Predict

Sugi Predict / Compounds / SCHEMBL6535448

SCHEMBL6535448

SCHEMBL6535448

CC(S)c1ccccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.65
▸ GABRB2 P47870 2/20 0.65
▸ TSHR P16473 5/20 0.58
▸ POLB P06746 2/20 0.46
▸ CA2 P00918 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ BLM P54132 2/20 0.43
▸ HIF1A Q16665 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ CA12 O43570 2/20 0.43
▸ CA14 Q9ULX7 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ GMNN O75496 1/20 0.43
▸ EGFR P00533 1/20 0.43

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
SCHEMBL6535432 0.81 GABRA1 (0.60) GABRA1GABRB2TSHRPOLBCA2
SCHEMBL330663 0.81 GABRA1 (0.43) GABRA1GABRB2TSHRCA2LMNA
SCHEMBL29531559 0.79 GABRA1 (1.00) GABRA1GABRB2TSHRPOLBCA2
SCHEMBL51565 0.79 GABRA1 (0.71) GABRA1GABRB2TSHRPOLBCA2
SCHEMBL11597764 0.79 GABRA1 (0.71) GABRA1GABRB2TSHRPOLBCA2
SCHEMBL15485453 0.79 GABRA1 (1.00) GABRA1GABRB2TSHRPOLBCA2
SCHEMBL43297 0.79 GABRA1 (1.00) GABRA1GABRB2TSHRPOLBCA2
SCHEMBL29440398 0.79 GABRA1 (0.71) GABRA1GABRB2TSHRPOLBCA2
SCHEMBL12773081 0.78 GABRA1 (0.45) GABRA1GABRB2TSHRPOLBCA2
Benzene SCHEMBL1841233 0.77 GABRA1 (0.95) GABRA1GABRB2TSHRPOLBCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 — — US disclosed
CN-113574041-A Method for producing bisphenol and method for producing polycarbonate resin 三菱化学株式会社 2021-10-29 — — CN disclosed
EP-0958275-A4 SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 UNIV VANDERBILT (US) 2004-12-01 — — EP disclosed
US-6284918-B1 ENZYME INHIBITORS VANDERBILT UNIVERSITY 2001-09-04 — — US disclosed
EP-0958275-A1 SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 VANDERBILT UNIVERSITY (US) 1999-11-24 — — EP disclosed
US-5973191-A AN ACETOXYPHENYLALKYL SULFIDE, SALT OR HYDRATE VANDERBILT UNIVERSITY (US) 1999-10-26 — — US disclosed
WO-1998029382-A1 SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 VANDERBILT UNIVERSITY (US) 1998-07-09 — — 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-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 GABRA1 376/4885GABRB2 220/4885TSHR 3073/4885

“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.