SCHEMBL7609691

SCHEMBL7609691

COC(=O)c1cc(F)c(N2CCc3cc(C(=O)OC)ccc3C2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.46
▸ HDAC6 Q9UBN7 5/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ LIPE Q05469 1/20 0.40
▸ SRD5A1 P18405 1/20 0.40
▸ SRD5A2 P31213 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 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
SCHEMBL7604872 0.90 POLB (0.41) ACACBHDAC6HDAC8POLBESR1
SCHEMBL17869278 0.81 NPC1 (0.58) ACACBHDAC6CYP1A2CYP3A4CYP2C9
SCHEMBL7603500 0.79 MAPT (0.44) HDAC6HDAC8ESR1ESR2KDM4E
SCHEMBL3307342 0.78 DRD1 (0.51) ACACBHDAC6HDAC8KDM4ELIPE
SCHEMBL7865877 0.77 ACACB (0.53) ACACBHDAC6HDAC8ESR1ESR2
SCHEMBL20178664 0.77 HDAC6 (0.51) ACACBHDAC6HDAC8ESR1ESR2
SCHEMBL31395120 0.77 MAPT (0.50) ACACBHDAC6HDAC8CYP1A2CYP3A4
SCHEMBL12608358 0.76 HDAC6 (0.50) ACACBHDAC6HDAC8KDM4ENPC1
SCHEMBL31276014 0.76 HDAC6 (0.56) ACACBHDAC6HDAC8ESR1ESR2
SCHEMBL1027755 0.76 HDAC6 (0.56) ACACBHDAC6HDAC8ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150057218-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS INC (US) 2015-02-26 — — US disclosed
US-8921369-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-12-30 — — US disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 — — US disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 — — US disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 — — 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-20130096101-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 ACACB 190/4885HDAC6 88/4885HDAC8 1563/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 ACACB 188/4885HDAC6 113/4885HDAC8 1610/4885
US-20150057218-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 ACACB 188/4885HDAC6 113/4885HDAC8 1610/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 ACACB 188/4885HDAC6 113/4885HDAC8 1610/4885

“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.

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