SCHEMBL109870

SCHEMBL109870

CCOC(=O)C(O)SC(O)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 3/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SOAT1 P35610 1/20 0.42
PIN1 Q13526 1/20 0.39
TRPA1 O75762 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 1/20 0.36
CYP2D6 P10635 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM1 P11229 1/20 0.35
ADORA1 P30542 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
SCHEMBL27631256 0.82
SCHEMBL27296308 0.80 ALDH1A1 (0.42) ALDH1A1HSD17B10LMNAALOX15MGAM
SCHEMBL111432 0.80 HCAR2 (0.39) ALDH1A1HSD17B10LMNAL3MBTL1CYP3A4
Hydrochloric Acid SCHEMBL28966621 0.78
SCHEMBL109355 0.77 ALDH1A1 (0.52) ALDH1A1LMNAL3MBTL1TDP1TSHR
Hydrochloric Acid SCHEMBL3333430 0.76
Hydrochloric Acid SCHEMBL2655388 0.76
Hydrochloric Acid SCHEMBL275716 0.76 ALOX15 (0.50) ALDH1A1HSD17B10LMNAALOX15MGAM
SCHEMBL903490 0.75
SCHEMBL805601 0.75 ALDH1A1 (0.53) ALDH1A1HSD17B10LMNAALOX15MGAM

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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102802605-A Stable lipid formulations of apoptosis promoters ABBOTT LAB 2012-11-28 CN claimed
EP-2424499-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER Abbott Laboratories (US) 2012-03-07 EP claimed
WO-2010127193-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER ABBOTT LABORATORIES (US) 2010-11-04 WO claimed
US-20100278905-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER ABBVIE INC. 2010-11-04 US claimed
US-4122258-A Process for producing desacetoxycephalosporin derivatives by heating a penicillin-1-oxide in presence of an organic sulfide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1978-10-24 US claimed
US-20220326613-A1 PHOTOSENSITIVE TRANSFER MATERIAL AND METHOD OF PRODUCING THE SAME, METHOD OF PRODUCING PATTERNED METAL CONDUCTIVE MATERIAL, FILM, TOUCH PANEL, METHOD OF SUPPRESSING DETERIORATION, AND LAMINATE FUJIFILM CORPORATION (JP) 2022-10-13 US disclosed
US-10838111-B2 Optical material comprising a red-shifted benzotriazole UV absorber ESSILOR INTERNATIONAL (FR) 2020-11-17 US disclosed
EP-3161528-B1 COMPOSITION FOR THE MANUFACTURE OF AN OPHTALMIC LENS COMPRISING AN UV-ABSORBER AND AN ANTI-YELLOWING ADDITIVE ESSILOR INT (FR) 2020-03-04 EP disclosed
US-10370520-B2 Composition for the manufacture of an ophthalmic lens comprising an UV-absorber and an anti-yellowing additive ESSILOR INTERNATIONAL (FR) 2019-08-06 US disclosed
US-20190107647-A1 OPTICAL MATERIAL COMPRISING A RED-SHIFTED BENZOTRIAZOLE UV ABSORBER ESSILOR INTERNATIONAL (FR) 2019-04-11 US disclosed
EP-3236296-A1 OPTICAL MATERIAL COMPRISING A RED-SHIFTED BENZOTRIAZOLE UV ABSORBER ESSILOR INTERNATIONAL (Compagnie Générale d'Optique) (FR) 2017-10-25 EP disclosed
US-20170121498-A1 Composition for the Manufacture of an Ophthalmic Lens Comprising an UV-Absorber and an Anti-Yellowing Additive ESSILOR INTERNATIONAL (FR) 2017-05-04 US disclosed
US-20020058691-A1 3,4-Diaryl Thiophenes and analogs thereof having use as antiflammatory agents TALLEY JOHN J (US) 2002-05-16 US disclosed
US-6383561-B1 TONER PARTICLES PREPARED BY EMULSION AGGREGATION FORM PROPELLANT STREAM; INK JET PRINTING XEROX CORPORATION 2002-05-07 US disclosed
US-6365318-B1 OXIDATIVE POLYMERIZATION OF PYRROLE OR THIOPHENE MONOMERS IN DISPERSION WITH TONER PARTICLES; SUBSEQUENT CHARGING TO NEGATIVE OR POSITIVE POLARITY XEROX CORPORATION 2002-04-02 US disclosed
US-6274590-B1 ADMINISTERING 3,4-DIARYLTHIOPHENE DERIVATIVE TO TREAT ECZEMA, BURNS, PSORIASIS, AND DERMATITIS G. D. SEARLE & CO. 2001-08-14 US disclosed
EP-0679157-B1 NOVEL 3,4-DIARYL THIOPHENES AND ANALOGS THEREOF HAVING USE AS ANTIINFLAMMATORY AGENTS SEARLE & CO (US) 1997-11-19 EP disclosed
EP-0679157-A1 NOVEL 3,4-DIARYL THIOPHENES AND ANALOGS THEREOF HAVING USE AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1995-11-02 EP disclosed
WO-1994015932-A1 NOVEL 3,4-DIARYL THIOPHENES AND ANALOGS THEREOF HAVING USE AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1994-07-21 WO disclosed
US-4122258-A Process for producing desacetoxycephalosporin derivatives by heating a penicillin-1-oxide in presence of an organic sulfide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1978-10-24 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 (4 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-20020058691-A1 3,4-Diaryl Thiophenes and analogs thereof having use as antiflammatory agents NR3C1, FPR1, NR4A1 ALDH1A1 240/4885HSD17B10 975/4885LMNA 3474/4885
US-20190107647-A1 OPTICAL MATERIAL COMPRISING A RED-SHIFTED BENZOTRIAZOLE UV ABSORBER CRY2, ALDH1A2, CRY1 ALDH1A1 201/4885HSD17B10 2065/4885LMNA 1417/4885
US-10838111-B2 Optical material comprising a red-shifted benzotriazole UV absorber CRY2, ALDH1A2, CRY1 ALDH1A1 201/4885HSD17B10 2065/4885LMNA 1417/4885
US-20100278905-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER BCL2, BAX, BCOR ALDH1A1 3985/4885HSD17B10 481/4885LMNA 2007/4885

“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.