SCHEMBL17987779

SCHEMBL17987779

N=C(N)NCCOc1ccc(CS)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.43
ALDH1A1 P00352 1/20 0.43
TMPRSS2 O15393 2/20 0.42
F2 P00734 4/20 0.41
PRMT1 Q99873 3/20 0.41
ST14 Q9Y5Y6 3/20 0.41
PLAU P00749 1/20 0.41
PRMT5 O14744 1/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
PTP4A3 O75365 1/20 0.41
SLC22A3 O75751 1/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
S100B P04271 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL17987795 0.82 NPY4R (0.41) ALDH1A1
SCHEMBL17987791 0.82 NPY4R (0.41) ALDH1A1
SCHEMBL20687494 0.82 ALDH1A1 (0.37) ALDH1A1F10MTNR1AMTNR1BKDM4E
SCHEMBL16521943 0.80 F10 (0.41) PRSS1TMPRSS2F2PRMT1ST14
SCHEMBL16218949 0.80 PRSS1 (0.46) PRSS1ALDH1A1TMPRSS2F2PRMT1
SCHEMBL17058979 0.80 DRD2 (0.49) PRSS1ALDH1A1TMPRSS2F2PRMT1
SCHEMBL304917 0.80 PRSS1 (0.46) PRSS1TMPRSS2F2PRMT1ST14
SCHEMBL10310260 0.80 MTNR1A (0.63) PRSS1ALDH1A1DRD3MTNR1AMTNR1B
SCHEMBL10310294 0.80 MTNR1A (0.59) PRSS1ALDH1A1F2F10PLG
SCHEMBL17960697 0.79 ALDH1A1 (0.51) ALDH1A1MTNR1AMTNR1BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230172885-A1 THIOL-CONTAINING COMPOUNDS FOR USE IN TREATING CORONAVIRUS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-06-08 US disclosed
US-10968233-B2 Monothiol mucolytic agents PARION SCIENCES, INC. (US) 2021-04-06 US disclosed
US-20190031679-A1 NOVEL MONOTHIOL MUCOLYTIC AGENTS PARION SCIENCES, INC. 2019-01-31 US disclosed
US-20160222023-A1 NOVEL MONOTHIOL MUCOLYTIC AGENTS PARION SCIENCES, INC. (US) 2016-08-04 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 (4 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-20230172885-A1 THIOL-CONTAINING COMPOUNDS FOR USE IN TREATING CORONAVIRUS CTH, SARS1, CBS PRSS1 240/4885ALDH1A1 552/4885TMPRSS2 21/4885
US-10968233-B2 Monothiol mucolytic agents MUC1, HRH2, MAN2A1 PRSS1 142/4885ALDH1A1 301/4885TMPRSS2 366/4885
US-20190031679-A1 NOVEL MONOTHIOL MUCOLYTIC AGENTS MUC1, MAN2A1, HRH2 PRSS1 101/4885ALDH1A1 266/4885TMPRSS2 262/4885
US-20160222023-A1 NOVEL MONOTHIOL MUCOLYTIC AGENTS MUC1, MAN2A1, HRH2 PRSS1 101/4885ALDH1A1 266/4885TMPRSS2 262/4885

“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.