SCHEMBL454657

SCHEMBL454657

CCCCCCSN=C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
CES2 O00748 6/20 0.38
THRB P10828 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
BLM P54132 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 2/20 0.36
CA2 P00918 1/20 0.36
CES1 P23141 7/20 0.33
FAAH O00519 4/20 0.33
PLA2G6 O60733 1/20 0.33
NAAA Q02083 1/20 0.32
DNM1 Q05193 2/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL4460742 1.00 EPHX1 (0.38) EPHX1CES2THRBCTSLCTSB
SCHEMBL4466652 1.00 EPHX1 (0.38) EPHX1CES2THRBCTSLCTSB
SCHEMBL1119763 0.98
SCHEMBL2892756 0.91
SCHEMBL384256 0.88
SCHEMBL956731 0.80
SCHEMBL2058598 0.72 SLC2A1 (0.38)
SCHEMBL2018319 0.69
SCHEMBL7611194 0.69 TSHR (0.42) EPHX1CES2THRBCTSLCTSB
SCHEMBL5586092 0.69 TSHR (0.42) EPHX1CES2THRBCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116355117-A Terminal functionalized high cis-rare earth conjugated diene rubber and preparation method thereof 青岛科技大学 2023-06-30 CN disclosed
US-9234256-B2 Scavenger supports and the use thereof in a process for the extraction of metals JOHNSON MATTHEY FINLAND OY (FI) 2016-01-12 US disclosed
US-9045403-B2 Geranyl geranyl acetone (GGA) derivatives and compositions thereof COYOTE PHARMACEUTICALS, INC. (US) 2015-06-02 US disclosed
US-8968591-B2 Organic piezoelectric material, ultrasound transducer, ultrasound probe, and ultrasound medical diagnostic imaging system KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2015-03-03 US disclosed
US-20150025077-A1 GGA AND GGA DERIVATIVES COMPOSITIONS THEREOF AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES INCLUDING PARALYSIS INCLUDING THEM COYOTE PHARMACEUTICALS, INC. (US) 2015-01-22 US disclosed
WO-2014163643-A1 GGA AND GGA DERIVATIVES COMPOSITIONS THEREOF AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES INCLUDING PARALYSIS INCLUDING THEM COYOTE PHARMACEUTICALS, INC. (US) 2014-10-09 WO disclosed
WO-2014151719-A1 SUBLINGUAL FORMULATIONS INCLUDING GERANYLGERANYLACETONE AND GERANYLGERANYLACETONE DERIVATIVES COYOTE PHARMACEUTICALS, INC. (US) 2014-09-25 WO disclosed
US-8652335-B2 Scavenger supports and the use thereof in a process for the extraction of metals JOHNSON MATTHEY FINLAND OY (FI) 2014-02-18 US disclosed
US-20130296323-A1 GGA AND GGA DERIVATIVES COMPOSITIONS THEREOF AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES INCLUDING PARALYSIS INCLUDING THEM COYOTE PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
WO-2013130654-A1 GGA AND GGA DERIVATIVES, COMPOSITIONS THEREOF AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES INCLUDING PARALYSIS INCLUDING THEM COYOTE PHARMACEUTICALS, INC. (US) 2013-09-06 WO disclosed
EP-1769094-A2 SCAVENGER SUPPORTS WITH AMINO-FUNCTIONALISED PENDANT KETOESTER OR KETOAMIDE GROUPS FOR REMOVING METALS FROM SOLUTIONS Reaxa Limited (GB) 2007-04-04 EP disclosed
WO-2005123971-A2 SCAVENGER SUPPORTS WITH AMINO-FUNCTIONALISED PENDANT KETOESTER OR KETOMIDE GROUPS FOR REMOVING METALS FROM SOLUTIONS REAXA LIMITED (GB) 2005-12-29 WO disclosed
EP-1534681-A1 SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-06-01 EP disclosed
EP-1524289-A1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-04-20 EP disclosed
US-20040254258-A1 Polymerizable composition, optical material comprising the composition and method for producing the material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2004-12-16 US disclosed
US-20040072818-A1 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-15 US disclosed
WO-2004002960-A1 SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-01-08 WO disclosed
US-4642104-A Urethral catheter capable of preventing urinary tract infection and process for producing the same UNITIKA LTD. (JP) 1987-02-10 US disclosed
US-4539234-A Urethral catheter capable of preventing urinary tract infection and process for producing the same UNITIKA LTD. (JP) 1985-09-03 US disclosed
EP-0065884-A1 Urethral catheter capable of preventing urinary tract infection and process for producing the same UNITIKA LTD. (JP) 1982-12-01 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 (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-20130296323-A1 GGA AND GGA DERIVATIVES COMPOSITIONS THEREOF AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES INCLUDING PARALYSIS INCLUDING THEM BAX, GAP43, SMN1; SMN2 EPHX1 2060/4885CES2 4825/4885THRB 4139/4885
US-20040072818-A1 Substituted quinoline CCR5 receptor antagonists CCR5, CXCR3, CCR2 EPHX1 1335/4885CES2 860/4885THRB 814/4885
US-20150025077-A1 GGA AND GGA DERIVATIVES COMPOSITIONS THEREOF AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES INCLUDING PARALYSIS INCLUDING THEM BAX, GAP43, SMN1; SMN2 EPHX1 2060/4885CES2 4825/4885THRB 4139/4885

“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.