SCHEMBL2768046

SCHEMBL2768046

Fc1cccc(N=C=S)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 2/20 0.48
HTR2B P41595 2/20 0.48
ABCB11 O95342 1/20 0.48
NR3C1 P04150 1/20 0.48
CYP1A2 P05177 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ADRA2C P18825 1/20 0.48
MAOA P21397 1/20 0.48
DRD1 P21728 1/20 0.48
SLC6A4 P31645 1/20 0.48
CCR2 P41597 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
REV1 Q9UBZ9 1/20 0.40
MIF P14174 2/20 0.38
APLNR P35414 1/20 0.38

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
SCHEMBL30298614 0.82 ALDH1A1 (0.52) ALDH1A1CYP3A4HTR2BABCB11NR3C1
SCHEMBL160878 0.82 ALDH1A1 (0.52) ALDH1A1CYP3A4HTR2BABCB11NR3C1
SCHEMBL30940600 0.80 ALDH1A1 (0.36) ALDH1A1CYP3A4HTR2BABCB11NR3C1
SCHEMBL3229637 0.80 ALDH1A1 (0.36) ALDH1A1CYP3A4HTR2BABCB11NR3C1
SCHEMBL7256052 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4HTR2BABCB11NR3C1
SCHEMBL27995840 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4HTR2BABCB11NR3C1
SCHEMBL2770263 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4HTR2BABCB11NR3C1
SCHEMBL2769195 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4HTR2BABCB11NR3C1
SCHEMBL2768908 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4HTR2BABCB11NR3C1
SCHEMBL29662014 0.78 CYP3A4 (0.54) ALDH1A1CYP3A4HTR2BHPGDTDP1

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-115411362-A Electrolyte for lithium ion battery, lithium ion battery and preparation method thereof 江苏海四达电源有限公司 2022-11-29 CN claimed
WO-2022211574-A1 COMPOSITION FOR PREVENTING OR TREATING CHRONIC KIDNEY DISEASE, COMPRISING COMPOUND THAT INDUCES EXPRESSION OF ANTI-AGING GENE KLOTHO 주식회사 클로소사이언스 2022-10-06 WO disclosed
WO-2022211420-A1 COMPOSITION FOR PREVENTING OR TREATING NEURODEGENERATIVE DISEASE COMPRISING COMPOUND INDUCING EXPRESSION OF ANTI-AGING GENE KLOTHO 주식회사 클로소사이언스 2022-10-06 WO disclosed
CN-109476696-B Anti-trypanosome and anti-leishmania agents for animals and humans 细胞基因公司 2022-06-10 CN disclosed
WO-2021066608-A1 COMPOUND FOR INDUCING EXPRESSION OF ANTI-AGING GENE KLOTHO AND USE THEREOF 주식회사 클로소사이언스 2021-04-08 WO disclosed
US-10420772-B2 Animal and human anti-trypanosomonal and anti-leishmania agents CELGENE CORPORATION (US) 2019-09-24 US disclosed
EP-3464312-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS Celgene Corporation (US) 2019-04-10 EP disclosed
US-20180280399-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS CELGENE CORP (US) 2018-10-04 US disclosed
US-10010555-B2 Animal and human anti-trypanosomonal and anti-leishmania agents CELGENE CORPORATION (US) 2018-07-03 US disclosed
US-20170348315-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS CELGENE CORPORATION 2017-12-07 US disclosed
WO-2006043121-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2006-04-27 WO disclosed
EP-1272175-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-08-31 EP disclosed
US-20040253636-A1 Method of protein analysis OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2004-12-16 US disclosed
EP-1430307-A2 A METHOD OF PROTEIN ANALYSIS Oxford GlycoSciences (UK) Ltd, Attn: Mary Gadsden (GB) 2004-06-23 EP disclosed
US-6680317-B2 N-(PHENYL)-N*-(2-HYDROXY-3-AMINOSULFONYLPHENYL)GUANIDINE DERIVATIVES; CHEMOKINE INHIBITORS; RESPIRATORY, CARDIOVASCULAR, RHEUMATIC, BRAIN, AND NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM CORPORATION 2004-01-20 US disclosed
US-20030216375-A1 Il-8 receptor anatagonists GLAXOSMITHKLINE LLC 2003-11-20 US disclosed
CN-1452483-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 2003-10-29 CN disclosed
WO-2003027681-A2 A METHOD OF PROTEIN ANALYSIS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2003-04-03 WO disclosed
EP-1272175-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-08 EP disclosed
WO-2001072960-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-04 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 (5 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-20180280399-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS TPMT, TYMP, ATIC ALDH1A1 749/4885CYP3A4 2675/4885HTR2B 3198/4885
US-10010555-B2 Animal and human anti-trypanosomonal and anti-leishmania agents TPMT, TYMP, ATIC ALDH1A1 749/4885CYP3A4 2675/4885HTR2B 3198/4885
US-20030216375-A1 Il-8 receptor anatagonists CXCL8, CCR8, IL1R1 ALDH1A1 1275/4885CYP3A4 1758/4885HTR2B 2408/4885
US-10420772-B2 Animal and human anti-trypanosomonal and anti-leishmania agents TPMT, TYMP, ATIC ALDH1A1 749/4885CYP3A4 2675/4885HTR2B 3198/4885
US-20170348315-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS TPMT, TYMP, ATIC ALDH1A1 749/4885CYP3A4 2675/4885HTR2B 3198/4885

“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.