SCHEMBL3863371

SCHEMBL3863371

CC1CCCN1S(C)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
TP53 P04637 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HSD11B1 P28845 1/20 0.39
AKR1C3 P42330 5/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 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
SCHEMBL18531196 1.00 ACHE (0.54) ACHETP53PSEN1PSEN2APH1B
SCHEMBL13144617 1.00 ACHE (0.54) ACHETP53PSEN1PSEN2APH1B
SCHEMBL27326103 0.93 ACHE (0.52) ACHETP53PSEN1PSEN2APH1B
SCHEMBL774178 0.93 ACHE (0.52) ACHETP53PSEN1PSEN2APH1B
SCHEMBL27326106 0.93 ACHE (0.52) ACHETP53PSEN1PSEN2APH1B
SCHEMBL27326455 0.85
SCHEMBL27326454 0.85
SCHEMBL27326458 0.85
SCHEMBL19326883 0.80 ACHE (0.41) ACHEPSEN1PSEN2APH1BNCSTN
SCHEMBL23564441 0.79 PSEN1 (0.42) ACHEPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023132606-A1 NOVEL ISOINDOLINONE DERIVATIVE COMPOUNDS AS CASPASE INHIBITORS 주식회사 이노보테라퓨틱스 2023-07-13 WO disclosed
US-9828360-B2 Pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-11-28 US disclosed
US-9822118-B2 Bicyclic heteroaryl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-11-21 US disclosed
EP-2670765-B1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO 4) LTD (GB) 2017-10-18 EP disclosed
US-9790210-B2 N-(monocyclic aryl),N'-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-10-17 US disclosed
US-20170283617-A1 Biocompatible N, N-Disubstituted Sulfonamide-Containing Fluorescent Dye Labels VISEN MEDICAL, INC. 2017-10-05 US disclosed
EP-2814834-B1 C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-09-13 EP disclosed
US-9758480-B2 1-(cycloalkyl-carbonyl)proline derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-12 US disclosed
US-20170217936-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2017-08-03 US disclosed
US-9562055-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-02-07 US disclosed
US-7601726-B2 Substituted pyrazolo[3,4-d]pyrimidines as p38 MAP kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-10-13 US disclosed
US-20090221589-A1 Use of aminoalcohol derivatives for the treatment of overactive bladder TRIESELMANN THOMAS 2009-09-03 US disclosed
US-20090130024-A1 Biocompatible N, N-Disubstituted Sulfonamide-Containing Fluorescent Dye Labels VISEN MEDICAL, INC. 2009-05-21 US disclosed
EP-2000469-A9 ACYLAMINOPIPERIDINE COMPOUND Astellas Pharma Inc. (JP) 2009-03-25 EP disclosed
US-20080317676-A1 Biocompatible Fluorescent Imaging Agents VISEN MEDICAL, INC. 2008-12-25 US disclosed
EP-2000469-A2 ACYLAMINOPIPERIDINE COMPOUND Astellas Pharma Inc. (JP) 2008-12-10 EP disclosed
EP-1919913-A2 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2008-05-14 EP disclosed
US-7214698-B2 Beta-agonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-05-08 US disclosed
US-20070054915-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-08 US disclosed
WO-2007023110-A2 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO 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 (6 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-20080317676-A1 Biocompatible Fluorescent Imaging Agents CD47, FIBP, CD68 ACHE 3400/4885TP53 712/4885PSEN1 3380/4885
US-20170283617-A1 Biocompatible N, N-Disubstituted Sulfonamide-Containing Fluorescent Dye Labels DNPEP, FUT5, NES ACHE 2351/4885TP53 788/4885PSEN1 3140/4885
US-20090130024-A1 Biocompatible N, N-Disubstituted Sulfonamide-Containing Fluorescent Dye Labels DNPEP, FUT5, NES ACHE 2351/4885TP53 788/4885PSEN1 3140/4885
US-20090221589-A1 Use of aminoalcohol derivatives for the treatment of overactive bladder ADRB2, ADRB1, ADRB3 ACHE 160/4885TP53 3777/4885PSEN1 2730/4885
US-20070054915-A1 p38 MAP kinase inhibitors and methods for using the same MAPK1, MAP3K1, MAP3K7 ACHE 4802/4885TP53 1024/4885PSEN1 3466/4885
US-20170217936-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS RET, TK1, DSTYK ACHE 983/4885TP53 369/4885PSEN1 2639/4885

“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.