SCHEMBL889072

SCHEMBL889072

CC1CCCCC1NC(=O)c1ccc(I)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.68
TAS1R3 Q7RTX0 14/20 0.63
TAS1R1 Q7RTX1 13/20 0.63
TAS1R2 Q8TE23 12/20 0.63
ALDH1A1 P00352 1/20 0.60
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA9 Q16790 1/20 0.56
GAA P10253 1/20 0.54
GFER P55789 1/20 0.54

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
SCHEMBL889027 0.97 MLYCD (0.63) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL517994 0.92 MLYCD (0.77) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL889096 0.90 MLYCD (0.55) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL517895 0.87 MLYCD (0.71) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL4175029 0.86 TAS1R3 (0.72) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL13927736 0.86 TAS1R3 (0.72) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL13927734 0.86 TAS1R3 (0.72) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL95611 0.84 MLYCD (0.68) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL20712985 0.84 MLYCD (0.67) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL9691775 0.84 MLYCD (0.67) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822700-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
US-8815928-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-08-26 US disclosed
US-8759332-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-06-24 US disclosed
US-8703938-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-04-22 US disclosed
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 MLYCD 2777/4885TAS1R3 4542/4885TAS1R1 4560/4885
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 MLYCD 2777/4885TAS1R3 4542/4885TAS1R1 4560/4885
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 MLYCD 2777/4885TAS1R3 4542/4885TAS1R1 4560/4885
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 MLYCD 2777/4885TAS1R3 4542/4885TAS1R1 4560/4885

“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.