SCHEMBL187409

SCHEMBL187409

O=C(S)N1CCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
HPGD P15428 5/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL3976543 1.00
SCHEMBL4342558 0.97
SCHEMBL24904293 0.90
SCHEMBL24073037 0.83
SCHEMBL19509515 0.77 L3MBTL3 (0.58) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL23153412 0.75 MEN1 (0.56) HPGDTP53SMN1; SMN2MMP1MMP3
SCHEMBL3947407 0.73 ALDH1A1 (0.93) ALDH1A1HPGDMAPTKDM4ETP53
SCHEMBL2323473 0.73 ALDH1A1 (0.93) ALDH1A1HPGDMAPTKDM4ETP53
SCHEMBL3458615 0.73 ALDH1A1 (0.61) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL8024247 0.73 ALDH1A1 (0.61) ALDH1A1HPGDLMNAMMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3209296-B1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2019-07-10 EP claimed
US-10072025-B2 Ethyl N-boc piperidinyl pyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-09-11 US claimed
EP-3209296-A1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-08-30 EP claimed
US-20170240567-A1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-08-24 US claimed
US-7934888-B2 Marine anti-foulant system and methods for using same VIV SUPPRESSION, INC. (US) 2011-05-03 US claimed
US-7901701-B2 Methods for producing dried pesticide compositions LIGNOTECH USA, INC. (US) 2011-03-08 US claimed
WO-2010127142-A2 USE OF LIGNOSULFONATES IN SUSPO-EMULSIONS FOR PRODUCING PESTICIDE COMPOSITIONS LIGNOTECH USA, INC. (US) 2010-11-04 WO claimed
US-20100278890-A1 Use of Lignosulfonates in Suspo-emulsions for Producing Pesticide Compositions LIGNOTECH USA, INC. (US) 2010-11-04 US claimed
EP-2244569-A2 METHODS FOR PRODUCING PESTICIDE COMPOSITIONS Lignotech Usa, Inc. (US) 2010-11-03 EP claimed
US-20090185867-A1 MARINE ANTI-FOULANT SYSTEM AND METHODS FOR USING SAME ASSET INTEGRITY MANAGEMENT SOLUTIONS, L.L.C., D/B/A AIMS INTERNATIONAL 2009-07-23 US claimed
EP-0052856-A2 Aryl sulfonylurea carbamates and thiolcarbamates and salts thereof: herbicidal antidotes STAUFFER CHEMICAL COMPANY (US) 1982-06-02 EP claimed
US-4276078-A HALOGENATED AMIDE ANTIDOTES FOR THIOCARBAMYL HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1981-06-30 US claimed
US-4269618-A COMPRISING A THIOLCARBAMATE AND AN ANTIDOTE OF A HALOALKYLAMIDO COMPOUND; COATING CROP SEEDS; APPLYING TO THE SOIL STAUFFER CHEMICAL COMPANY (US) 1981-05-26 US claimed
US-4223070-A COATING FIRST WITH A LIQUID AND A POLYISOCYANATE THEN AN AQUEOUS SOLUTION OF A POLYMERIZATION CATALYST STAUFFER CHEMICAL COMPANY (US) 1980-09-16 US claimed
EP-0005302-A2 Impregnated porous granules with slow-release pore membranes, and process for the manufacture thereof STAUFFER CHEMICAL COMPANY (US) 1979-11-14 EP claimed
US-4137070-A CONTAINING HERBICIDAL ANTIDOTE STAUFFER CHEMICAL COMPANY (US) 1979-01-30 US claimed
US-4042371-A Sulfide herbicide antidote compositions and method of use STAUFFER CHEMICAL COMPANY (US) 1977-08-16 US claimed
US-4036628-A THIOCARBAMATES, PHOSPHATES, PHOSPHONATES STAUFFER CHEMICAL COMPANY (US) 1977-07-19 US claimed
US-4033750-A Herbicidal composition NIPPON SODA COMPANY LIMITED (JA) 1977-07-05 US claimed
US-4021224-A THIOCARBAMATE, WEED PEST CONTROL, ANTIDOTES STAUFFER CHEMICAL COMPANY (US) 1977-05-03 US claimed

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-20170240567-A1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 ALDH1A1 2779/4885HPGD 853/4885MAPT 4153/4885
US-10072025-B2 Ethyl N-boc piperidinyl pyrazolo pyridones as Janus kinase inhibitors JAK1, JAK2, JAK3 ALDH1A1 2779/4885HPGD 853/4885MAPT 4153/4885

“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.