SCHEMBL8374289

SCHEMBL8374289

CCOc1ccnc2cnoc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
LRRK2 Q5S007 1/20 0.34
AOC3 Q16853 2/20 0.33
S1PR1 P21453 6/20 0.33
S1PR3 Q99500 3/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
SYK P43405 1/20 0.33
MAPT P10636 2/20 0.32
TTR P02766 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
IKBKB O14920 1/20 0.32

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
SCHEMBL4065234 0.82 CHEK1 (0.42) HPGDALDH1A1
SCHEMBL8371411 0.75 LOXL2 (0.32)
SCHEMBL8374279 0.72 HPGD (0.42) HPGDSMN1; SMN2LRRK2S1PR1S1PR3
SCHEMBL12899438 0.71 HSP90AA1 (0.31)
SCHEMBL14202550 0.68
SCHEMBL13876457 0.66 LOXL2 (0.48) HPGDSMN1; SMN2POLBTHRBSYK
SCHEMBL526387 0.66 LOXL2 (0.48) HPGDSMN1; SMN2POLBTHRBSYK
SCHEMBL3819637 0.63 CA12 (0.58) HPGDSMN1; SMN2CA12CA1CA2
SCHEMBL25312393 0.62 SMN1; SMN2 (0.50) HPGDSMN1; SMN2CA12CA1CA2
SCHEMBL16727177 0.62 HPGD (0.50) HPGDSMN1; SMN2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343477-B2 Viricides; serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-7741281-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US disclosed
US-20080107623-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080107624-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 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 (4 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-20080107623-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP HPGD 3422/4885SMN1; SMN2 4805/4885CA12 4005/4885
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients TERT, VIP, YWHAZ HPGD 3271/4885SMN1; SMN2 2517/4885CA12 4840/4885
US-20080107624-A1 Inhibitors of Hepatitis C Virus HAVCR2, MRPS23, HCCS HPGD 3535/4885SMN1; SMN2 4802/4885CA12 4414/4885
US-20080107625-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP HPGD 3422/4885SMN1; SMN2 4805/4885CA12 4005/4885

“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.