Sugi Predict

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SCHEMBL10324844

SCHEMBL10324844

CC1CCC(C2=C(c3cc(-c4ccccc4)sc3C(=O)O)CCN(C(=O)c3cnccn3)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.43
▸ CYP1A2 P05177 8/20 0.39
▸ USP2 O75604 8/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ CYP2C19 P33261 4/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ CYP3A4 P08684 9/20 0.39
▸ TSHR P16473 4/20 0.39
▸ CYP2C9 P11712 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ CYP2D6 P10635 3/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL9975782 1.00 GAA (0.43) GAACYP1A2USP2SMN1; SMN2CYP2C19
SCHEMBL9975698 0.88 RECQL (0.39) GAACYP1A2USP2SMN1; SMN2CYP2C19
SCHEMBL9975679 0.86 ACHE (0.42) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL9976057 0.86 HCRTR2 (0.34) CYP1A2CYP3A4CYP2C9ALDH1A1KDM4E
SCHEMBL10324120 0.86 HCRTR2 (0.34) CYP1A2CYP3A4CYP2C9ALDH1A1KDM4E
SCHEMBL9976094 0.85 RBP4 (0.39) CYP2C19CYP3A4CYP2C9ALDH1A1KDM4E
SCHEMBL9975701 0.84 KDM4E (0.35) ALDH1A1KDM4ELMNAHPGDHTT
SCHEMBL10324586 0.83 SFRP1 (0.37) ALDH1A1HPGDNPSR1
SCHEMBL9976056 0.83 SFRP1 (0.37) ALDH1A1HPGDNPSR1
SCHEMBL9975692 0.83 IKBKB (0.35) CYP1A2CYP3A4CYP2C9ALDH1A1KDM4E

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-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-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

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 GAA 113/4885CYP1A2 223/4885USP2 3650/4885
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2E, POLR2H, GTF3C3 GAA 71/4885CYP1A2 222/4885USP2 3304/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E GAA 113/4885CYP1A2 223/4885USP2 3650/4885

“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.