SCHEMBL889040

SCHEMBL889040

CC1CC1NC(=O)c1ccc(I)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.47
TRPV1 Q8NER1 2/20 0.44
TAS1R3 Q7RTX0 4/20 0.43
TAS1R2 Q8TE23 4/20 0.43
TAS1R1 Q7RTX1 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.42
BRD4 O60885 2/20 0.41
TPMT P51580 1/20 0.41
GSK3B P49841 1/20 0.40

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
SCHEMBL889096 0.86 MLYCD (0.55) MLYCDTAS1R3TAS1R2TAS1R1CYP1A2
SCHEMBL889072 0.83 MLYCD (0.68) MLYCDTAS1R3TAS1R2TAS1R1ALDH1A1
SCHEMBL889027 0.83 MLYCD (0.63) MLYCDTAS1R3TAS1R2TAS1R1ALDH1A1
SCHEMBL889070 0.83 MLYCD (0.43) MLYCDTRPV1TAS1R3TAS1R2TAS1R1
SCHEMBL29781370 0.81 TDP1 (0.59) TRPM8TDP1BRD4NPC1RAB9A
SCHEMBL18231413 0.81 TDP1 (0.59) TRPM8TDP1BRD4NPC1RAB9A
SCHEMBL15978923 0.81 TDP1 (0.59) TRPM8TDP1BRD4NPC1RAB9A
SCHEMBL29781372 0.81 TDP1 (0.59) TRPM8TDP1BRD4NPC1RAB9A
SCHEMBL12824392 0.79 HDAC4 (0.50) MLYCDTRPV1CYP1A2CYP2C19CYP3A4
SCHEMBL27627048 0.79 MLYCD (0.43) MLYCDTRPV1TAS1R3TAS1R2TAS1R1

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 2777/4885TRPV1 2956/4885TAS1R3 4542/4885
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 MLYCD 2777/4885TRPV1 2956/4885TAS1R3 4542/4885
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 MLYCD 2777/4885TRPV1 2956/4885TAS1R3 4542/4885
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 MLYCD 2777/4885TRPV1 2956/4885TAS1R3 4542/4885

“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.