Sugi Predict

Sugi Predict / Compounds / SCHEMBL10240127

SCHEMBL10240127

SCHEMBL10240127

CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)NCc4ccccc4)c3)cc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.53
▸ CYP2C8 P10632 5/20 0.53
▸ CFD P00746 1/20 0.48
▸ KCNH2 Q12809 2/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ EPHX2 P34913 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.47
▸ ERN1 O75460 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ BCHE P06276 1/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ AURKA O14965 1/20 0.43

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
SCHEMBL10240130 0.96 CYP3A4 (0.51) CYP3A4CYP2C8KCNH2NR1I2EPHX2
SCHEMBL10241688 0.94 CYP3A4 (0.49) CYP3A4CYP2C8KCNH2NR1I2HPGD
SCHEMBL1919283 0.93 CYP3A4 (0.50) CYP3A4CYP2C8KCNH2NR1I2EPHX2
SCHEMBL10241684 0.92 CYP3A4 (0.47) CYP3A4CYP2C8KCNH2NR1I2AURKA
SCHEMBL10241839 0.92 CYP3A4 (0.54) CYP3A4CYP2C8KCNH2NR1I2AURKA
SCHEMBL1917481 0.92 CYP3A4 (0.49) CYP3A4CYP2C8KCNH2NR1I2AURKA
SCHEMBL10240892 0.91 CYP3A4 (0.52) CYP3A4CYP2C8KCNH2NR1I2KDM4E
SCHEMBL11927642 0.90 CYP3A4 (0.46) CYP3A4CYP2C8KCNH2NR1I2LMNA
SCHEMBL10240587 0.90 CYP3A4 (0.51) CYP3A4CYP2C8KCNH2NR1I2HPGD
SCHEMBL10241879 0.90 CYP3A4 (0.55) CYP3A4CYP2C8KCNH2NR1I2KDM4E

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326633-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2015-12-16 — — EP disclosed
US-8722688-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 — — US disclosed
US-8722688-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 — — US disclosed
US-20130197012-A1 Compounds for the Treatment of Hepatitis C BRISTOL MYERS SQUIBB CO (US) 2013-08-01 — — US disclosed
US-20130197012-A1 Compounds for the Treatment of Hepatitis C BRISTOL MYERS SQUIBB CO (US) 2013-08-01 — — US disclosed
US-20120316126-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-12-13 — — US disclosed
US-20120316126-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-12-13 — — US disclosed
US-8309558-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 — — US disclosed
US-8309558-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 — — US disclosed
US-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 — — US disclosed
US-20110256099-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2011-10-20 — — US disclosed
US-20110256099-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2011-10-20 — — US disclosed
WO-2011112191-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 — — WO disclosed
US-7994171-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 — — US disclosed
US-7994171-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 — — US disclosed
US-20100249094-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-09-30 — — US disclosed
US-20100249094-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-09-30 — — US disclosed
US-20100093694-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 — — US disclosed
US-20100093694-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 — — US disclosed
WO-2010030592-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-18 — — 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 (6 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-20100249094-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP3A4 299/4885CYP2C8 85/4885CFD 2738/4885
US-20120316126-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP3A4 299/4885CYP2C8 85/4885CFD 2738/4885
US-20130197012-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP3A4 299/4885CYP2C8 85/4885CFD 2738/4885
US-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C HAVCR2, HCCS, SLC10A1 CYP3A4 299/4885CYP2C8 85/4885CFD 2738/4885
US-20100093694-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP3A4 299/4885CYP2C8 85/4885CFD 2738/4885
US-20110256099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP3A4 299/4885CYP2C8 85/4885CFD 2738/4885

“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.