SCHEMBL10033646

SCHEMBL10033646

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.50
NR1H4 Q96RI1 5/20 0.49
POLB P06746 1/20 0.48
FFAR1 O14842 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EPHX2 P34913 1/20 0.45
TP53 P04637 1/20 0.45
AKR1B1 P15121 1/20 0.44
ABCC4 O15439 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44
HTT P42858 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
SCHEMBL10033647 0.89 NPSR1 (0.43) RORCNR1H4MEN1KMT2AALDH1A1
SCHEMBL10033645 0.84 ALDH1A1 (0.50) POLBMEN1KMT2AALDH1A1NPSR1
SCHEMBL10033639 0.82 NAPRT (0.58) POLBMEN1KMT2AALDH1A1NPSR1
SCHEMBL10033649 0.80 ALDH1A1 (0.46) POLBMEN1KMT2AALDH1A1NPSR1
SCHEMBL14997857 0.80 MAPT (0.58) POLBMEN1KMT2AALDH1A1NPSR1
SCHEMBL10033644 0.79 ALDH1A1 (0.41) POLBMEN1KMT2AALDH1A1NPSR1
SCHEMBL10033642 0.78 TRPV1 (0.41) POLBALDH1A1NPSR1GAAHTT
SCHEMBL10033640 0.78 MEN1 (0.57) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL10033643 0.77 RXFP1 (0.48) KMT2AALDH1A1NPSR1TP53LMNA
SCHEMBL5151866 0.76 KMT2A (0.74) RORCNR1H4POLBFFAR1MEN1

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 RORC 1946/4885NR1H4 2036/4885POLB 152/4885

“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.