SCHEMBL2585487

SCHEMBL2585487

COC(=O)CCCSSCCCC(=O)OC

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
LMNA P02545 4/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 2/20 0.40
GLA P06280 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL11432968 0.93 TSHR (0.64) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL20634408 0.91 TSHR (0.72) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL11612260 0.91 TSHR (0.61) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL11613489 0.91 TSHR (0.61) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL17833863 0.89 TSHR (0.58) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL13563279 0.86 TSHR (0.54) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL14353413 0.85 TSHR (0.67) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL284589 0.84 TSHR (0.63) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL628936 0.83
Hydrochloric Acid SCHEMBL28725352 0.82 TSHR (0.60) TSHRLMNAALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022080409-A1 ESTER COMPOUND, METHOD FOR SYNTHESIZING ESTER COMPOUND, AND RESIN COMPOSITION 昭和電工マテリアルズ株式会社 2022-04-21 WO claimed
US-20120238481-A1 LUBRICATING OIL COMPOSITION IDEMITSU KOSAN CO., LTD. (JP) 2012-09-20 US claimed
US-5342724-A Preparing polyester from diol and diacid wherein one of the monomers has disulfuide linkage, reacting polyester with unsaturated monomer to create addition polymer blocks linked by sulfide group from dislufide linkage EASTMAN KODAK COMPANY (US) 1994-08-30 US claimed
US-20230213857-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION CONTAINING RADICAL TRAPPING AGENT NISSAN CHEMICAL CORPORATION (JP) 2023-07-06 US disclosed
US-11591358-B2 Glucosamine derivatives and pharmaceutical uses thereof Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-02-28 US disclosed
WO-2022080409-A1 ESTER COMPOUND, METHOD FOR SYNTHESIZING ESTER COMPOUND, AND RESIN COMPOSITION 昭和電工マテリアルズ株式会社 2022-04-21 WO disclosed
WO-2020205564-A1 CYTOTOXIC BIS-BENZODIAZEPINE DERIVATIVES AND CONJUGATES THEREOF WITH CELL-BINDING AGENTS FOR INHIBITING ABNORMAL CELL GROWTH OR FOR TREATING PROLIFERATIVE DISEASES IMMUNOGEN, INC. (US) 2020-10-08 WO disclosed
US-20190185502-A1 GLUCOSAMINE DERIVATIVES AND PHARMACEUTICAL USES THEREOF RISEN (SUZHOU) PHARMA TECH CO, LTD. (CN) 2019-06-20 US disclosed
US-9309481-B2 Lubricant composition IDEMITSU KOSAN CO., LTD. (JP) 2016-04-12 US disclosed
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
EP-2566860-B1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-09-10 EP disclosed
WO-2001019776-A2 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed
US-5342724-A Preparing polyester from diol and diacid wherein one of the monomers has disulfuide linkage, reacting polyester with unsaturated monomer to create addition polymer blocks linked by sulfide group from dislufide linkage EASTMAN KODAK COMPANY (US) 1994-08-30 US disclosed
US-5221760-A Intermediates, leukotriene antagonists BAYER AKTIENGESELLSCHAFT (DE) 1993-06-22 US disclosed
US-5159097-A An arylphosphorous compound as chemical intermediate BAYER AKTIENGESELLSCHAFT (DE) 1992-10-27 US disclosed
EP-0341551-B1 ALKENOIC ACID DERIVATIVES BAYER AG (DE) 1992-04-01 EP disclosed
US-5041638-A Leucotriene antagonist; treatment of respiratory system disorders, cardiovascular disorders BAYER AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed
EP-0341551-A1 Alkenoic acid derivatives BAYER AG (DE) 1989-11-15 EP disclosed
US-4229588-A FROM A MERCAPTOALKYL ESTER CONTACTED WITH A HALOGEN PHILLIPS PETROLEUM COMPANY (US) 1980-10-21 US disclosed
US-4085094-A SULFENYLTHIOCARBONATES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-04-18 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 (2 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-20190185502-A1 GLUCOSAMINE DERIVATIVES AND PHARMACEUTICAL USES THEREOF OGT, UGGT1, GLA TSHR 2995/4885LMNA 2743/4885ALDH1A1 1600/4885
US-11591358-B2 Glucosamine derivatives and pharmaceutical uses thereof OGT, UGGT1, GLA TSHR 2995/4885LMNA 2743/4885ALDH1A1 1600/4885

“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.