SCHEMBL2138024

SCHEMBL2138024

COC(=O)c1cc(OBOc2ccc(Cl)c(C(=O)OC)c2)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TYK2 P29597 1/20 0.43
ABL1 P00519 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 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
SCHEMBL516293 0.87 ABL1 (0.46) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL1180024 0.84 KDM4E (0.60) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL16540058 0.81 KDM4E (0.45) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL14920298 0.80 ALDH1A1 (0.44) KMT2ALMNAALDH1A1MAPTTSHR
SCHEMBL14484639 0.79 ALDH1A1 (0.45) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL14915775 0.79 TDP1 (0.49) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL28081598 0.79 MEN1 (0.48) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL516908 0.78 KDM4E (0.45) LMNASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL4363906 0.77 ABL1 (0.62) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL364906 0.77 CPS1 (0.45) KMT2AALDH1A1MAPTKDM4ECYP1A2

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 9 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
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
US-20100093694-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 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 (5 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-20120316126-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 MEN1 4676/4885KMT2A 4624/4885LMNA 2677/4885
US-20130197012-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 MEN1 4676/4885KMT2A 4624/4885LMNA 2677/4885
US-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C HAVCR2, HCCS, SLC10A1 MEN1 4676/4885KMT2A 4624/4885LMNA 2677/4885
US-20100093694-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 MEN1 4676/4885KMT2A 4624/4885LMNA 2677/4885
US-20110256099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 MEN1 4676/4885KMT2A 4624/4885LMNA 2677/4885

“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.