SCHEMBL3239658

SCHEMBL3239658

O=S(=O)(F)c1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA9 Q16790 1/20 0.63
F2 P00734 3/20 0.52
PRSS1 P07477 3/20 0.52
PRSS2 P07478 3/20 0.52
PRSS3 P35030 3/20 0.52
HTR6 P50406 2/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 1/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
HCRTR1 O43613 1/20 0.46
ELANE P08246 1/20 0.45
TSHR P16473 2/20 0.45
AKR1B1 P15121 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL11575510 0.88 HPRT1 (0.54) CA1CA2CA9F2PRSS1
SCHEMBL11508876 0.85 ELANE (0.46) CA1CA2CA9F2PRSS1
SCHEMBL547461 0.81 CA1 (0.68) CA1CA2CA9F2PRSS1
SCHEMBL29965319 0.81 CA1 (0.68) CA1CA2CA9F2PRSS1
SCHEMBL3071825 0.81 CA1 (0.68) CA1CA2CA9F2PRSS1
SCHEMBL11575541 0.80 ELANE (0.46) CA1CA2CA9PRSS1PRSS2
SCHEMBL7175789 0.79 CA1 (0.65) CA1CA2CA9F2PRSS1
SCHEMBL29338 0.79 CA1 (0.65) CA1CA2CA9F2PRSS1
SCHEMBL5544560 0.78 CA1 (0.53) CA1CA2CA9F2PRSS1
SCHEMBL9639738 0.77 CA1 (0.63) CA1CA2CA9F2PRSS1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113603619-A Method for preparing aryl sulfonyl fluoride by taking aryl hydrazine hydrochloride as raw material 上海应用技术大学 2021-11-05 CN claimed
CN-113603619-B Method for preparing aryl sulfonyl fluoride by taking aryl hydrazine hydrochloride as raw material 上海应用技术大学 2023-02-10 CN disclosed
CN-113603619-A Method for preparing aryl sulfonyl fluoride by taking aryl hydrazine hydrochloride as raw material 上海应用技术大学 2021-11-05 CN disclosed
US-20210115087-A1 CYCLIC PEPTIDE INHIBITORS OF HEDGEHOG PROTEINS UNIV ROCHESTER (US) 2021-04-22 US disclosed
US-20190241615-A1 CYCLIC PEPTIDE INHIBITORS OF HEDGEHOG PROTEINS UNIVERSITY OF ROCHESTER 2019-08-08 US disclosed
EP-3475294-A1 CYCLIC PEPTIDE INHIBITORS OF HEDGEHOG PROTEINS The University of Rochester (US) 2019-05-01 EP disclosed
WO-2017223207-A1 CYCLIC PEPTIDE INHIBITORS OF HEDGEHOG PROTEINS UNIVERSITY OF ROCHESTER (US) 2017-12-28 WO disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
CN-1171888-C Substituted purine derivatives, preparation method and application ���ĵ�˹ҩƷ�¹��ɷ����޹�˾ 2004-10-20 CN disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
US-4088482-A XEROGRAPHY, PHOTOSENSITIVITY THE DOW CHEMICAL COMPANY (US) 1978-05-09 US disclosed
US-3960961-A 4'-Fluoro-4-{[4-(phenyl)cyclohexyl]amino}butyrophenones and the salts thereof THE UPJOHN COMPANY (US) 1976-06-01 US 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-20190241615-A1 CYCLIC PEPTIDE INHIBITORS OF HEDGEHOG PROTEINS SHH, SMO, DACH1 CA1 996/4885CA2 2173/4885CA9 2413/4885
US-20210115087-A1 CYCLIC PEPTIDE INHIBITORS OF HEDGEHOG PROTEINS SHH, SMO, DACH1 CA1 996/4885CA2 2173/4885CA9 2413/4885
US-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 CA1 2629/4885CA2 1149/4885CA9 828/4885

“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.