SCHEMBL223977

SCHEMBL223977

CC(C)CC(C)S([NH])(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
SLC7A5 Q01650 1/20 0.35
ANPEP P15144 5/20 0.33
LAP3 P28838 2/20 0.33
ERAP1 Q9NZ08 2/20 0.33
ERAP2 Q6P179 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30

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
SCHEMBL19879326 0.73 TSHR (0.40) TSHRALDH1A1MAPK1SLC7A5ANPEP
SCHEMBL6889643 0.73 TSHR (0.40) TSHRALDH1A1MAPK1SLC7A5ANPEP
SCHEMBL42814 0.73
SCHEMBL6720278 0.73 TSHR (0.40) TSHRALDH1A1MAPK1SLC7A5ANPEP
SCHEMBL223978 0.71 TSHR (0.45) TSHRALDH1A1MAPK1SLC7A5ANPEP
SCHEMBL11240691 0.71 TSHR (0.38) TSHRALDH1A1MAPK1SLC7A5ANPEP
SCHEMBL6893519 0.71 TSHR (0.38) TSHRALDH1A1MAPK1SLC7A5ANPEP
SCHEMBL6720279 0.71 SLC7A5 (0.40) TSHRALDH1A1MAPK1SLC7A5ANPEP
SCHEMBL222995 0.69
SCHEMBL7022978 0.67 ALDH1A1 (0.35) TSHRALDH1A1MAPK1SLC7A5ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191471-B1 4,5-DIHYDROPYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2020-03-11 EP disclosed
EP-3191471-A1 4,5-DIHYDROPYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2017-07-19 EP disclosed
US-9550754-B2 4,5-dihydropyrazole derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2017-01-24 US disclosed
EP-2439204-B1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER NISSAN CHEMICAL IND LTD (JP) 2017-01-04 EP disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
EP-2218716-B1 METHOD FOR AMPLIFYING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL IND LTD (JP) 2016-11-16 EP disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
WO-2016038160-A1 4,5-DIHYDROPYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2016-03-17 WO disclosed
US-20160075691-A1 4,5- DIHYDROPYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2016-03-17 US disclosed
US-9045423-B2 Prophylactic and/or therapeutic agent for anemia comprising tetrahydroquinoline compound as active ingredient KOWA COMPANY, LTD. (JP) 2015-06-02 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
WO-2003106435-A1 FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF SANKYO COMPANY, LIMITED (JP) 2003-12-24 WO disclosed
EP-0726254-B1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS (JP) 1998-05-06 EP disclosed
EP-0697407-B1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS (JP) 1997-06-25 EP disclosed
US-5627193-A MEDICAL DIAGNOSIS, CARDIOVASCULAR DIAORDERS AND PROTECTION OF ORGANS FOR TRANSPLANTATION MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-06 US disclosed
EP-0726254-A1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-08-14 EP disclosed
EP-0697407-A1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-02-21 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-20160075691-A1 4,5- DIHYDROPYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC5A1, GFPT1, SULT2A1 TSHR 4462/4885ALDH1A1 571/4885MAPK1 3074/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL TSHR 1758/4885ALDH1A1 1278/4885MAPK1 1165/4885
US-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R TSHR 122/4885ALDH1A1 3830/4885MAPK1 3998/4885

“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.