Sugi Predict

Sugi Predict / Compounds / SCHEMBL7601977

SCHEMBL7601977

SCHEMBL7601977

Cc1ccc(-c2cc3ccc(OS(=O)(=O)C(F)(F)F)cc3cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.52
▸ RAB9A P51151 6/20 0.52
▸ CASP3 P42574 2/20 0.52
▸ SENP7 Q9BQF6 2/20 0.52
▸ SDHB P21912 1/20 0.43
▸ PTGS1 P23219 1/20 0.42
▸ IDO1 P14902 2/20 0.40
▸ TDO2 P48775 2/20 0.40
▸ HSD11B1 P28845 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7608891 0.92 NPC1 (0.54) NPC1RAB9ACASP3SENP7IDO1
SCHEMBL25318410 0.80 CCR1 (0.43) PTGS1ALDH1A1PTGS2CA1CA2
SCHEMBL15851457 0.79 HSD11B1 (0.44) PTGS1HSD11B1KMT2ACA1CA2
SCHEMBL31243801 0.79 HSD11B1 (0.48) HSD11B1KMT2ACA1CA2MEN1
SCHEMBL16811754 0.79 HSD11B1 (0.48) HSD11B1KMT2ACA1CA2MEN1
SCHEMBL7604990 0.79 PDGFRB (0.48) HSD11B1CA1CA2
SCHEMBL13933197 0.76 HSD11B1 (0.46) HSD11B1KMT2ACA1CA2MEN1
SCHEMBL15370576 0.76 MEN1 (0.49) HSD11B1KMT2ACA1CA2SMN1; SMN2
SCHEMBL14506101 0.75 HSD11B1 (0.47) HSD11B1CA1CA2
SCHEMBL28934094 0.75 NPC1 (0.59) NPC1RAB9ACASP3SENP7IDO1

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 6 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-8877707-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-11-04 — — 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 NPC1 119/4885RAB9A 1313/4885CASP3 3310/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 NPC1 122/4885RAB9A 1482/4885CASP3 3179/4885
US-20150057218-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 NPC1 122/4885RAB9A 1482/4885CASP3 3179/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 NPC1 122/4885RAB9A 1482/4885CASP3 3179/4885

“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.