SCHEMBL3045328

SCHEMBL3045328

CCOC(=O)c1csc(Nc2ccc(C)c(O)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.55
CA1 P00915 10/20 0.55
CA2 P00918 10/20 0.55
CA9 Q16790 10/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
EGFR P00533 1/20 0.54
LMNA P02545 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
GAA P10253 1/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
HSD17B10 Q99714 1/20 0.53
DHODH Q02127 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL3038926 0.87 LMNA (0.64) CA12CA1CA2CA9CYP1A2
SCHEMBL21708008 0.85 KDM1A (0.67) CA12CA1CA2CA9CYP1A2
SCHEMBL21708021 0.84 MAPT (0.68) CA12CA1CA2CA9CYP1A2
SCHEMBL3044989 0.83 L3MBTL1 (0.60) CYP1A2CYP2C19EGFRLMNANPSR1
SCHEMBL5035870 0.83 LMNA (0.71) CA12CA1CA2CA9CYP1A2
SCHEMBL2831045 0.83 L3MBTL1 (0.62) CA12CA1CA2CA9CYP1A2
SCHEMBL10464406 0.81 MAPT (0.65) CA12CA1CA2CA9CYP1A2
SCHEMBL5041112 0.81 EGFR (0.73) CA12CA1CA2CA9CYP1A2
SCHEMBL4789312 0.81 SMN1; SMN2 (0.69) CA12CA1CA2CA9CYP1A2
SCHEMBL21708010 0.81 GAA (0.64) CA12CA1CA2CA9CYP1A2

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-9018209-B2 Compounds and methods for the treatment of viruses and cancer YALE UNIVERSITY (US) 2015-04-28 US disclosed
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 2010-09-02 US disclosed
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US disclosed
WO-2007038387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRUSES AND CANCER YALE UNIVERSITY (US) 2007-04-05 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 (2 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-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 CA12 4051/4885CA1 4072/4885CA2 2164/4885
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer RCOR1, RCOR3, CCNT1 CA12 374/4885CA1 551/4885CA2 1741/4885

“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.