SCHEMBL889096

SCHEMBL889096

CC1CCC1NC(=O)c1ccc(I)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.55
TAS1R3 Q7RTX0 11/20 0.51
TAS1R1 Q7RTX1 10/20 0.51
TAS1R2 Q8TE23 9/20 0.51
ALDH1A1 P00352 1/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 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
SCHEMBL889027 0.90 MLYCD (0.63) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL889072 0.90 MLYCD (0.68) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL889040 0.86 MLYCD (0.47) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL517994 0.81 MLYCD (0.77) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL889070 0.81 MLYCD (0.43) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL12809997 0.79 HDAC4 (0.53) MLYCDCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4177216 0.77 RAB9A (0.62) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL517895 0.77 MLYCD (0.71) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL13927736 0.75 TAS1R3 (0.72) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL4175029 0.75 TAS1R3 (0.72) 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.