SCHEMBL1936252

SCHEMBL1936252

COC(=O)c1ccc(C)c(-c2cnc3oc(-c4ccc(F)cc4)c(Br)c3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.43
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
MAP2K4 P45985 1/20 0.41
CYP3A4 P08684 5/20 0.40
CYP2C8 P10632 5/20 0.40
KCNH2 Q12809 2/20 0.40
MAPK14 Q16539 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
NR1I2 O75469 1/20 0.39
SGK1 O00141 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
PTGS1 P23219 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 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
SCHEMBL1934982 0.90 ABL1 (0.39) ABL1CYP3A4CYP2C8KCNH2NR1I2
SCHEMBL1935042 0.89 ABL1 (0.42) ABL1CYP3A4CYP2C8KCNH2GPBAR1
SCHEMBL1936172 0.84 NEK1 (0.48) PIK3CDPIK3CAMTORMAP2K4SGK1
SCHEMBL1936118 0.84 CYP2C8 (0.43) ABL1PIK3CDPIK3CAMTORMAP2K4
SCHEMBL1934991 0.83 CYP2C8 (0.41) ABL1PIK3CDPIK3CAMTORMAP2K4
SCHEMBL1935451 0.79 ABL1 (0.47) ABL1MAPK14
SCHEMBL2432879 0.78 CYP2C8 (0.40) ABL1CYP3A4CYP2C8KCNH2NR1I2
SCHEMBL1936611 0.78 CYP2C8 (0.51) ABL1CYP3A4CYP2C8KCNH2NR1I2
SCHEMBL1936396 0.77 MAP4K4 (0.40) ABL1MAP2K4MAPK1
SCHEMBL9911873 0.76 BTK (0.43) NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536338-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-17 US disclosed
EP-2545050-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-16 EP 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
WO-2011112186-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO disclosed
EP-2331502-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2011-06-15 EP disclosed
US-20100184800-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
WO-2010030538-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-18 WO 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 ABL1 153/4885PIK3CD 1881/4885PIK3CA 1466/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 ABL1 153/4885PIK3CD 1881/4885PIK3CA 1466/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 ABL1 153/4885PIK3CD 1881/4885PIK3CA 1466/4885

“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.