SCHEMBL6537085

SCHEMBL6537085

CC(CSSCC(C)C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.46
CYP1A2 P05177 1/20 0.46
TP53 P04637 1/20 0.40
FOLH1 Q04609 2/20 0.39
NAALAD2 Q9Y3Q0 2/20 0.39
ENPEP Q07075 2/20 0.39
BLM P54132 1/20 0.39
APEX1 P27695 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
LTA4H P09960 1/20 0.35

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
SCHEMBL11193240 1.00 GABRR1 (0.46) GABRR1CYP1A2TP53FOLH1NAALAD2
SCHEMBL16626924 1.00 GABRR1 (0.46) GABRR1CYP1A2TP53FOLH1NAALAD2
SCHEMBL5518553 1.00 GABRR1 (0.46) GABRR1CYP1A2TP53FOLH1NAALAD2
SCHEMBL13825268 0.87
SCHEMBL7110047 0.87
SCHEMBL12434857 0.86 SLC7A5 (0.46) GABRR1ENPEP
SCHEMBL15984957 0.86 SLC7A5 (0.46) GABRR1ENPEP
SCHEMBL13026596 0.86 SLC7A5 (0.46) GABRR1ENPEP
SCHEMBL12293187 0.86 GABRR1 (0.37) GABRR1CYP1A2TP53FOLH1NAALAD2
SCHEMBL20088918 0.86 ACE2 (0.38) GABRR1CYP1A2FOLH1NAALAD2ENPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230127080-A1 NOVEL CATIONIC LIPID HAVING CYSTINE SKELETON NOF CORPORATION (JP) 2023-04-27 US disclosed
US-9562033-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2017-02-07 US disclosed
US-9562033-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2017-02-07 US disclosed
US-20160039783-A1 Inhibitors of Viral Replication, Their Process of Preparation and Their Therapeutical Uses HIVIH (FR) 2016-02-11 US disclosed
US-20160039783-A1 Inhibitors of Viral Replication, Their Process of Preparation and Their Therapeutical Uses HIVIH (FR) 2016-02-11 US disclosed
US-6696234-B2 Silver halide photosensitive material and isothiazolidine-3-one derivative FUJI PHOTO FILM CO., LTD. (JP) 2004-02-24 US disclosed
US-20030190566-A1 Silver halide photosensitive material and isothiazolidine-3-one derivative FUJI PHOTO FILM CO., LTD. 2003-10-09 US disclosed
US-4595675-A Hypotensive agents HOECHST AKTIENGESELLSCHAFT (DE) 1986-06-17 US disclosed
US-4459158-A THIOALKANOIC ACID DERIVATIVES PHILLIPS PETROLEUM COMPANY (US) 1984-07-10 US disclosed
US-4410542-A HYPOTENSIVE AGENTS, PYRROLINE-1,2-DICARBOXYLIC ACID DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1983-10-18 US disclosed
US-4347371-A HYPERTENSIVE AGENTS; ANTIDIABETIC AGENTS; VISION DEFECTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-08-31 US disclosed
EP-0056066-A1 Process for the preparation of a polythiol polymer, sealant composition and sealant PHILLIPS PETROLEUM COMPANY (US) 1982-07-21 EP disclosed
US-4267307-A NONTACKY SURFACES BY CURING A POLYOXYALKYLENE GLYCOL WITH END GROUPS CONTAINING PRIMARY HYDROXYL GROUPS MODIFIED BY A MERCAPTO ACID OR ESTER PHILLIPS PETROLEUM COMPANY (US) 1981-05-12 US disclosed
US-4154840-A Antihypertensive pipecolic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4105776-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1978-08-08 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 (3 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-20230127080-A1 NOVEL CATIONIC LIPID HAVING CYSTINE SKELETON SGMS1, SLC7A11, SGMS2 GABRR1 4654/4885CYP1A2 4419/4885TP53 4182/4885
US-20030190566-A1 Silver halide photosensitive material and isothiazolidine-3-one derivative NRP1, NR2E3, SCN1B GABRR1 2087/4885CYP1A2 890/4885TP53 2263/4885
US-20160039783-A1 Inhibitors of Viral Replication, Their Process of Preparation and Their Therapeutical Uses POLRMT, MAVS, EIF2AK2 GABRR1 2755/4885CYP1A2 3866/4885TP53 1143/4885

“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.