Sugi Predict

Sugi Predict / Compounds / SCHEMBL9975774

SCHEMBL9975774

SCHEMBL9975774

COC(=O)c1sc(-c2ccccc2)cc1-c1c[n+](C)ccc1C1CCC(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.46
▸ HTT P42858 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ MAPT P10636 8/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 3/20 0.41
▸ TP53 P04637 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34

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
SCHEMBL10364858 0.92 KDM4E (0.46) KDM4EHTTATMMAPTALDH1A1
SCHEMBL16205870 0.82 KDM4E (0.38) KDM4EHTTATMMAPTALDH1A1
SCHEMBL9975730 0.82 KDM4E (0.47) KDM4EHTTATMMAPTALDH1A1
SCHEMBL10364876 0.80 KDM4E (0.43) KDM4EHTTATMMAPTALDH1A1
SCHEMBL9975723 0.80 KDM4E (0.47) KDM4EHTTATMMAPTALDH1A1
SCHEMBL16203340 0.79 ALDH1A1 (0.41) KDM4EHTTMAPTALDH1A1HPGD
SCHEMBL9975720 0.75 KDM4E (0.44) KDM4EHTTATMMAPTALDH1A1
SCHEMBL9975915 0.74 MAPT (0.42) KDM4EHTTATMMAPTALDH1A1
SCHEMBL9941709 0.73 KDM4E (0.46) KDM4EHTTATMMAPTALDH1A1
SCHEMBL10364962 0.72 KDM4E (0.45) KDM4EHTTATMMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9707215-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL, DISCOVERY, INC. (US) 2017-07-18 — — US disclosed
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2015-07-02 — — US disclosed
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY INC (US) 2014-10-30 — — US disclosed
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY INC (US) 2014-10-30 — — US disclosed
US-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 — — US disclosed
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 — — US disclosed
WO-2012083105-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-06-21 — — WO 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-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E KDM4E 2970/4885HTT 4482/4885ATM 4621/4885
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2E, POLR2H, GTF3C3 KDM4E 3082/4885HTT 4635/4885ATM 4711/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E KDM4E 2970/4885HTT 4482/4885ATM 4621/4885

“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.