SCHEMBL10033641

SCHEMBL10033641

N=C(Nc1ccccc1)SCCCSC(=N)Nc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.57
CA2 P00918 12/20 0.57
CA9 Q16790 11/20 0.57
CA12 O43570 10/20 0.57
PTPN7 P35236 1/20 0.56
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.51
CA7 P43166 2/20 0.51
CA5A P35218 1/20 0.51
CA14 Q9ULX7 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
HPGD P15428 1/20 0.51
PIM1 P11309 1/20 0.50
TSHR P16473 1/20 0.49
CA4 P22748 1/20 0.47

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
SCHEMBL14997856 0.86 PTGS2 (0.48) CA1CA2CA9CA12PTPN7
SCHEMBL10033645 0.83 ALDH1A1 (0.50) KMT2AALDH1A1MEN1TSHR
SCHEMBL10033649 0.79 ALDH1A1 (0.46) KMT2AALDH1A1MEN1
SCHEMBL10033639 0.78 NAPRT (0.58) KMT2AALDH1A1MEN1
SCHEMBL10033647 0.77 NPSR1 (0.43) CA2KMT2AALDH1A1MEN1HPGD
SCHEMBL14997857 0.76 MAPT (0.58) KMT2AALDH1A1MEN1
SCHEMBL10033646 0.76 RORC (0.50) KMT2AALDH1A1MEN1TSHR
SCHEMBL10033637 0.74 MAPT (0.47) KMT2AALDH1A1MEN1HPGDTSHR
Iodide SCHEMBL5062682 0.74 CA1 (0.59) CA1CA2CA9CA12PTPN7
SCHEMBL10033640 0.74 MEN1 (0.57) CA1CA2KMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742156-B2 Anti-viral carbamimidothioic acid esters BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2014-06-03 US disclosed
US-8742156-B2 Anti-viral carbamimidothioic acid esters BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2014-06-03 US disclosed
US-20130143961-A1 ANTI-VIRAL CARBAMIMIDOTHIOIC ACID ESTERS BRITISH COLUMBIA CANCER AGENCY (CA) 2013-06-06 US disclosed
US-20130143961-A1 ANTI-VIRAL CARBAMIMIDOTHIOIC ACID ESTERS BRITISH COLUMBIA CANCER AGENCY (CA) 2013-06-06 US disclosed
WO-2012021991-A1 ANTI-VIRAL CARBAMIMIDOTHIOIC ACID ESTERS VERSITECH LIMITED (CN) 2012-02-23 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 (1 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-20130143961-A1 ANTI-VIRAL CARBAMIMIDOTHIOIC ACID ESTERS NAT10, RNGTT, NSUN2 CA1 2147/4885CA2 677/4885CA9 1106/4885

“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.