Sugi Predict

Sugi Predict / Compounds / SCHEMBL3000937

SCHEMBL3000937

SCHEMBL3000937

CNC(=O)c1c(-c2ccc(F)cc2)nn2cc(NS(=O)(=O)CCCO)c(-c3cccc(C(=O)NC4(c5ccccn5)CC4)c3)cc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP2C8 P10632 6/20 0.46
▸ CYP3A4 P08684 5/20 0.46
▸ KCNH2 Q12809 3/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ BRAF P15056 3/20 0.33
▸ ACKR3 P25106 1/20 0.33
▸ DGAT2 Q96PD7 2/20 0.32
▸ ADRA2A P08913 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31

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
SCHEMBL2999480 0.94 CYP2C8 (0.47) CYP2C8CYP3A4KCNH2NR1I2BRAF
SCHEMBL2991655 0.94 CYP3A4 (0.39) CYP2C8CYP3A4KCNH2NR1I2BRAF
SCHEMBL2984759 0.93 CYP2C8 (0.40) CYP2C8CYP3A4KCNH2NR1I2BRAF
SCHEMBL2995586 0.85 CYP2C8 (0.53) CYP2C8CYP3A4KCNH2NR1I2BRAF
SCHEMBL1935953 0.84 CYP2C8 (0.46) CYP2C8CYP3A4KCNH2NR1I2
SCHEMBL2991607 0.83 PPARG (0.35) BRAFDGAT2CNR2
SCHEMBL2464251 0.82 CYP2C8 (0.47) CYP2C8CYP3A4KCNH2NR1I2
SCHEMBL2142748 0.82 CYP2C8 (0.62) CYP2C8CYP3A4KCNH2NR1I2
SCHEMBL2466024 0.78 CYP3A4 (0.40) CYP2C8CYP3A4KCNH2NR1I2ACKR3
SCHEMBL2994199 0.77 BRAF (0.46) BRAF

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
EP-2331502-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2016-03-02 — — EP disclosed
US-8536338-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-17 — — US disclosed
US-8293909-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-23 — — US disclosed
US-20120232099-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-09-13 — — US disclosed
US-8198449-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 — — US disclosed
US-20100184800-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 — — US disclosed
US-20100063068-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 — — 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-20100063068-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP2C8 168/4885CYP3A4 230/4885KCNH2 3450/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP2C8 168/4885CYP3A4 230/4885KCNH2 3450/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP2C8 168/4885CYP3A4 230/4885KCNH2 3450/4885

“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.