SCHEMBL12967181

SCHEMBL12967181

CCc1ccc(Oc2ccc(C(F)(F)F)c(F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 4/20 0.44
▸ FFAR1 O14842 1/20 0.41
▸ CYP11B1 P15538 2/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ AR P10275 3/20 0.40
▸ SLC7A5 Q01650 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ DAO P14920 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ PTPN7 P35236 1/20 0.36
▸ DUSP3 P51452 1/20 0.36
▸ NR1H2 P55055 1/20 0.36

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
SCHEMBL15813735 0.84 KIF11 (0.64) KIF11FFAR1CYP11B1CYP11B2AR
SCHEMBL12967051 0.83 MRGPRX4 (0.42) ARSMN1; SMN2NPC1RAB9ADAO
SCHEMBL7733788 0.82 KIF11 (0.40) KIF11FFAR1CYP11B1CYP11B2SLC7A5
SCHEMBL15385002 0.81 AR (0.58) KIF11CYP11B1CYP11B2ARSLC7A5
SCHEMBL12967364 0.81 SOS1 (0.50) SMN1; SMN2NPC1RAB9AHTR2ASLC6A4
SCHEMBL7729630 0.81 KIF11 (0.39) KIF11FFAR1CYP11B1CYP11B2SLC7A5
SCHEMBL12706035 0.81 KIF11 (0.53) KIF11FFAR1CYP11B1CYP11B2DAO
SCHEMBL9104268 0.79 IDO1 (0.50) AR
SCHEMBL12937217 0.79 RAB9A (0.49) KIF11CYP11B1CYP11B2ARSLC7A5
SCHEMBL13002525 0.78 KIF11 (0.70) KIF11FFAR1CYP11B1CYP11B2

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-9309260-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2016-04-12 — — US disclosed
US-9085587-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2015-07-21 — — US disclosed
US-20130302282-A1 Inhibitors of Hepatitis C Virus PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-14 — — US disclosed
US-20120276051-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-11-01 — — US disclosed
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. 2012-10-04 — — 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 (3 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-20120276051-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS KIF11 4009/4885FFAR1 3549/4885CYP11B1 1879/4885
US-20130302282-A1 Inhibitors of Hepatitis C Virus HAVCR2, LIPC, HCCS KIF11 4009/4885FFAR1 3549/4885CYP11B1 1879/4885
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS KIF11 4009/4885FFAR1 3549/4885CYP11B1 1879/4885

“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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