SCHEMBL4133061

SCHEMBL4133061

CCOC(=O)C1=C(S)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
MAPT P10636 5/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
ALOX15 P16050 2/20 0.47
ALDH1A1 P00352 6/20 0.41
GAA P10253 3/20 0.41
HPGD P15428 3/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
BRD4 O60885 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36

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
SCHEMBL6225648 0.98 KDM4E (0.46) KDM4EMAPTKMT2AMEN1ALOX15
SCHEMBL6226449 0.96 MAPT (0.47) KDM4EMAPTKMT2AMEN1ALOX15
SCHEMBL234027 0.86 KDM4E (0.55) KDM4EMAPTKMT2AMEN1ALOX15
SCHEMBL28283233 0.81 KDM4E (0.55) KDM4EMAPTKMT2AMEN1ALOX15
SCHEMBL6538246 0.80 KDM4E (0.50) KDM4EMAPTKMT2AMEN1ALOX15
SCHEMBL317949 0.80 MAPT (0.50) KDM4EMAPTKMT2AMEN1ALOX15
SCHEMBL8480122 0.78 KDM4E (0.48) KDM4EMAPTKMT2AMEN1ALOX15
SCHEMBL6538791 0.78 KDM4E (0.48) KDM4EMAPTKMT2AMEN1ALOX15
SCHEMBL10389515 0.78 SLC6A3 (0.46)
SCHEMBL7566870 0.77 MAPT (0.47) KDM4EMAPTKMT2AMEN1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. 2023-04-27 US disclosed
US-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. 2023-04-27 US disclosed
CN-113135848-A Preparation method of mercaptoalkenol ester compound 深圳市华先医药科技有限公司 2021-07-20 CN disclosed
WO-2021102052-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. (US) 2021-05-27 WO disclosed
WO-2009015028-A1 SUBSTITUTED CYCLOHEXENES AUSPEX PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed
WO-2009015028-A1 SUBSTITUTED CYCLOHEXENES AUSPEX PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed
US-20090022706-A1 SUBSTITUTED CYCLOHEXENES AUSPEX PHARMACEUTICALS, INC. (US) 2009-01-22 US disclosed
US-20090022706-A1 SUBSTITUTED CYCLOHEXENES AUSPEX PHARMACEUTICALS, INC. (US) 2009-01-22 US disclosed
US-20090022706-A1 SUBSTITUTED CYCLOHEXENES AUSPEX PHARMACEUTICALS, INC. (US) 2009-01-22 US disclosed
EP-1524263-A1 prodrugs containing cycloalkene derivatives Takeda Pharmaceutical Company Limited (JP) 2005-04-20 EP disclosed
EP-1063228-B1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND USE TAKEDA PHARMACEUTICAL (JP) 2005-01-19 EP disclosed
US-6495604-B1 SUCH AS D-ETHYL-6-(N-(2,4-DIFLUOROPHENYL)SULFAMOYL)-1-CYCLOHEXENE-1-CARBOXYLATE FOR INHIBITING NITRIC OXIDE AND/OR CYTOKINE PRODUCTION; FOR PREVENTING OR TREATING CARDIAC DISEASE, AUTOIMMUNE DISEASE OR SEPTIC SHOCK TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-17 US disclosed
EP-1063228-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2000-12-27 EP 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-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES CD2BP2, CD2, CD47 KDM4E 685/4885MAPT 2513/4885KMT2A 310/4885
US-20090022706-A1 SUBSTITUTED CYCLOHEXENES TLR4, TLR2, TLR1 KDM4E 2076/4885MAPT 4462/4885KMT2A 4376/4885

“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.