SCHEMBL6897277

SCHEMBL6897277

CCCSc1nnnn1CO

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
HSD17B10 Q99714 2/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 6/20 0.41
LMNA P02545 4/20 0.41
CYP2C19 P33261 2/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL18272456 0.75 ALDH1A1 (0.67) ALDH1A1HSD17B10LMNACYP2C19TP53
SCHEMBL15168483 0.73 ALDH1A1 (0.59) ALDH1A1HSD17B10HTTKMT2ALMNA
SCHEMBL22205141 0.71 HTT (0.49) ALDH1A1HSD17B10HTTKMT2ALMNA
SCHEMBL9537754 0.70 ALDH1A1 (0.79) ALDH1A1HTTKMT2ALMNACYP2C19
SCHEMBL10971944 0.69 ALDH1A1 (0.69) ALDH1A1HTTKMT2ALMNACYP2C19
SCHEMBL31272882 0.69 ALDH1A1 (0.45) ALDH1A1HSD17B10HTTKMT2ALMNA
SCHEMBL31619712 0.68 ALDH1A1 (0.73) ALDH1A1HSD17B10KMT2ALMNACYP2C19
SCHEMBL21916114 0.66 ALDH1A1 (0.59) ALDH1A1HSD17B10HTTKMT2ALMNA
SCHEMBL9053738 0.65 ALDH1A1 (0.64) ALDH1A1HSD17B10LMNACYP2C19RAB9A
SCHEMBL19061351 0.64 ALDH1A1 (0.49) ALDH1A1HSD17B10HTTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160271137-A1 INHIBITORS OF LONG AND VERY LONG CHAIN FATTY ACID METABOLISM AS BROAD SPECTRUM ANTI-VIRALS UNIV PRINCETON (US) 2016-09-22 US disclosed
US-20160271137-A1 INHIBITORS OF LONG AND VERY LONG CHAIN FATTY ACID METABOLISM AS BROAD SPECTRUM ANTI-VIRALS UNIV PRINCETON (US) 2016-09-22 US disclosed
US-9168269-B2 Inhibitors of long and very long chain fatty acid metabolism as broad spectrum anti-virals THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-10-27 US disclosed
US-9168269-B2 Inhibitors of long and very long chain fatty acid metabolism as broad spectrum anti-virals THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-10-27 US disclosed
US-20150139949-A1 ANTI-VIRAL COMBINATION THERAPY KOYUNCU EMRE (US) 2015-05-21 US disclosed
US-20150139949-A1 ANTI-VIRAL COMBINATION THERAPY KOYUNCU EMRE (US) 2015-05-21 US disclosed
US-20130190381-A1 INHIBITORS OF LONG AND VERY LONG CHAIN FATTY ACID METABOLISM AS BROAD SPECTRUM ANTI-VIRALS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-07-25 US disclosed
US-20130190381-A1 INHIBITORS OF LONG AND VERY LONG CHAIN FATTY ACID METABOLISM AS BROAD SPECTRUM ANTI-VIRALS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-07-25 US disclosed
WO-2012139028-A2 ANTI-VIRAL COMBINATION THERAPY THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-10-11 WO disclosed
WO-2011103516-A2 INHIBITORS OF LONG AND VERY LONG CHAIN FATTY ACID METABOLISM AS BROAD SPECTRUM ANTI-VIRALS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2011-08-25 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 (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-20160271137-A1 INHIBITORS OF LONG AND VERY LONG CHAIN FATTY ACID METABOLISM AS BROAD SPECTRUM ANTI-VIRALS FASN, PLIN1, PLIN3 ALDH1A1 3031/4885HSD17B10 63/4885HTT 3585/4885
US-20130190381-A1 INHIBITORS OF LONG AND VERY LONG CHAIN FATTY ACID METABOLISM AS BROAD SPECTRUM ANTI-VIRALS FASN, PLIN1, PLIN3 ALDH1A1 3031/4885HSD17B10 63/4885HTT 3585/4885
US-20150139949-A1 ANTI-VIRAL COMBINATION THERAPY HAVCR2, MAVS, ZC3HAV1 ALDH1A1 1175/4885HSD17B10 875/4885HTT 3954/4885

“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.