SCHEMBL1918679

SCHEMBL1918679

COC(=O)c1cc(OCc2ccccc2)c(C)c(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
HPGD P15428 2/20 0.52
MAPT P10636 5/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMPD1 P17405 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MRGPRX4 Q96LA9 3/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42

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
SCHEMBL16015342 0.87 LMNA (0.67) LMNAHPGDMAPTRAB9AL3MBTL1
SCHEMBL28716023 0.84 NOTUM (0.40) LMNARAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL89330 0.82 LMNA (0.55) LMNAHPGDRAB9ASMPD1MRGPRX4
SCHEMBL9022881 0.81 P2RY14 (0.48) LMNAHPGDMAPTRAB9AMRGPRX4
SCHEMBL29060054 0.80 BRD4 (0.44) LMNAHPGDMAPTRAB9AL3MBTL1
SCHEMBL1919991 0.79 LMNA (0.72) LMNAHPGDMAPTRAB9AL3MBTL1
SCHEMBL14448997 0.79 NOTUM (0.47) LMNAMAPTRAB9AL3MBTL1GAA
SCHEMBL16098096 0.78 MRGPRX4 (0.47) LMNAHPGDRAB9AMRGPRX4MEN1
SCHEMBL16096150 0.78 MRGPRX4 (0.47) LMNAHPGDMRGPRX4
SCHEMBL31643488 0.78 F2 (0.45) LMNAMAPTRAB9AL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2545042-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-16 EP 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-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
US-8148382-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-8048887-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-01 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
EP-2326633-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2011-06-01 EP 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
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 LMNA 2677/4885HPGD 1393/4885MAPT 4242/4885
US-20120316126-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 LMNA 2677/4885HPGD 1393/4885MAPT 4242/4885
US-20130197012-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 LMNA 2677/4885HPGD 1393/4885MAPT 4242/4885
US-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C HAVCR2, HCCS, SLC10A1 LMNA 2677/4885HPGD 1393/4885MAPT 4242/4885
US-20100093694-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 LMNA 2677/4885HPGD 1393/4885MAPT 4242/4885
US-20110256099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 LMNA 2677/4885HPGD 1393/4885MAPT 4242/4885

“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.