SCHEMBL12972713

SCHEMBL12972713

COC(=O)CCCC[C@@H]1CCSS1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.66
KMT2A Q03164 2/20 0.66
TARDBP Q13148 2/20 0.66
CYP2C9 P11712 1/20 0.66
MEN1 O00255 1/20 0.66
NR1I2 O75469 1/20 0.66
ALDH1A1 P00352 1/20 0.66
LMNA P02545 1/20 0.66
POLB P06746 1/20 0.66
THRB P10828 1/20 0.66
TSHR P16473 1/20 0.66
ACHE P22303 1/20 0.66
APEX1 P27695 1/20 0.66
RECQL P46063 1/20 0.66
BLM P54132 1/20 0.66
PMP22 Q01453 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
SAE1 Q9UBE0 1/20 0.66
UBA2 Q9UBT2 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66

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
SCHEMBL9910052 1.00 HSD17B10 (0.66) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL7840915 0.90 ACHE (0.55) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL7841104 0.89 CA12 (0.63) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL7842227 0.89 CA12 (0.63) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL19479306 0.88 TSHR (0.53) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL7843232 0.88 PPARG (0.60) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL7841701 0.87 CA12 (0.61) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL7841737 0.87 ACHE (0.51) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL7845468 0.87 RECQL (0.58) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL24601927 0.87 HSD17B10 (0.70) HSD17B10KMT2ATARDBPCYP2C9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230346744-A1 SULFUR-CONTAINING COMPOUND USEFUL FOR TREATING OR PREVENTING PRESBYOPIA SANTEN PHARMACEUTICAL CO., LTD. (JP) 2023-11-02 US disclosed
US-20230346744-A1 SULFUR-CONTAINING COMPOUND USEFUL FOR TREATING OR PREVENTING PRESBYOPIA SANTEN PHARMACEUTICAL CO., LTD. (JP) 2023-11-02 US disclosed
US-20230346744-A1 SULFUR-CONTAINING COMPOUND USEFUL FOR TREATING OR PREVENTING PRESBYOPIA SANTEN PHARMACEUTICAL CO., LTD. (JP) 2023-11-02 US disclosed
EP-3481383-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME CELLIX BIO PRIVATE LTD (IN) 2023-06-14 EP disclosed
WO-2023067387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF DERMAL AND OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2023-04-27 WO disclosed
EP-4159209-A1 SULFUR-CONTAINING COMPOUND USEFUL FOR TREATING OR PREVENTING PRESBYOPIA Santen Pharmaceutical Co., Ltd. (JP) 2023-04-05 EP disclosed
CN-115515570-A Sulfur-containing compounds useful for the treatment or prevention of presbyopia 参天制药株式会社 2022-12-23 CN disclosed
US-20220151989-A1 LIPOIC ACID PRODRUG SANTEN PHARMACEUTICAL CO., LTD. (JP) 2022-05-19 US disclosed
EP-3522873-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF XEROSTOMIA CELLIX BIO PRIVATE LTD (IN) 2022-03-16 EP disclosed
EP-3957365-A1 LIPOIC ACID PRODRUG Santen Pharmaceutical Co., Ltd. (JP) 2022-02-23 EP disclosed
US-20150246903-A9 Methods of Treating Ocular Diseases Using Derivatives of Lipoic Acid ENCORE HEALTH LLC 2015-09-03 US disclosed
US-20150246903-A9 Methods of Treating Ocular Diseases Using Derivatives of Lipoic Acid ENCORE HEALTH LLC 2015-09-03 US disclosed
US-20140357691-A1 Methods of Treating Ocular Diseases Using Derivatives of Lipoic Acid ENCORE HEALTH LLC (US) 2014-12-04 US disclosed
US-20140357691-A1 Methods of Treating Ocular Diseases Using Derivatives of Lipoic Acid ENCORE HEALTH LLC (US) 2014-12-04 US disclosed
US-8795706-B2 Methods of treating ocular diseases using derivatives of lipoic acid ENCORE HEALTH, LLC (US) 2014-08-05 US disclosed
US-8795706-B2 Methods of treating ocular diseases using derivatives of lipoic acid ENCORE HEALTH, LLC (US) 2014-08-05 US disclosed
WO-2010147957-A2 DITHIOL COMPOUNDS, DERIVATIVES, AND USES THEREFOR ENCORE HEALTH, LLC (US) 2010-12-23 WO disclosed
US-20100317608-A1 Dithiol Compounds, Derivatives, and Uses Therefor ENCORE HEALTH LLC (US) 2010-12-16 US disclosed
US-20100317608-A1 Dithiol Compounds, Derivatives, and Uses Therefor ENCORE HEALTH LLC (US) 2010-12-16 US disclosed
US-20090036516-A1 COMPOUNDS FOR TREATING METABOLIC SYNDROME CTG PHARMA S.R.L. (IT) 2009-02-05 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 (6 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-20220151989-A1 LIPOIC ACID PRODRUG ALOX15B, ALOX5, ALOX12 HSD17B10 267/4885KMT2A 2508/4885TARDBP 2240/4885
US-20090036516-A1 COMPOUNDS FOR TREATING METABOLIC SYNDROME GPR119, FABP4, INSR HSD17B10 229/4885KMT2A 2571/4885TARDBP 2712/4885
US-20230346744-A1 SULFUR-CONTAINING COMPOUND USEFUL FOR TREATING OR PREVENTING PRESBYOPIA CBS, PSEN1, PSEN2 HSD17B10 1875/4885KMT2A 3172/4885TARDBP 1808/4885
US-20140357691-A1 Methods of Treating Ocular Diseases Using Derivatives of Lipoic Acid TTPA, HMGCR, CRYAB HSD17B10 159/4885KMT2A 4128/4885TARDBP 1583/4885
US-20150246903-A9 Methods of Treating Ocular Diseases Using Derivatives of Lipoic Acid TTPA, HMGCR, CRYAB HSD17B10 159/4885KMT2A 4128/4885TARDBP 1583/4885
US-20100317608-A1 Dithiol Compounds, Derivatives, and Uses Therefor FARS2, CRYZ, TALDO1 HSD17B10 359/4885KMT2A 4596/4885TARDBP 740/4885

“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.