SCHEMBL753866

SCHEMBL753866

Cc1nc2cc(C(C(=O)O)N(C)C)ccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.56
NPC1 O15118 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 4/20 0.44
HDAC4 P56524 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 4/20 0.41
TP53 P04637 2/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 2/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
GAA P10253 2/20 0.39
LDHA P00338 1/20 0.39
HTT P42858 1/20 0.39
OGA O60502 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL8922089 0.89 RAB9A (0.52) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL13747654 0.88 RAB9A (0.51) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL888874 0.86 RAB9A (0.50) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL8908294 0.85 RAB9A (0.49) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL8927076 0.85 NPC1 (0.49) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL13179179 0.82 NPC1 (0.46) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL19333995 0.81 SMN1; SMN2 (0.45) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL2631638 0.80 NPC1 (0.59) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL18731289 0.78 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL8336956 0.76 NPC1 (0.57) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
EP-2328865-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
WO-2009102633-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
US-20090202483-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20080311075-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-12-18 US disclosed
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-12-04 US disclosed
WO-2008144380-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-27 WO disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 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 (10 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL RAB9A 2545/4885NPC1 72/4885SMN1; SMN2 4310/4885
US-20090202478-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS RAB9A 2463/4885NPC1 65/4885SMN1; SMN2 4352/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS RAB9A 2463/4885NPC1 65/4885SMN1; SMN2 4352/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS RAB9A 2463/4885NPC1 65/4885SMN1; SMN2 4352/4885
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS RAB9A 2463/4885NPC1 65/4885SMN1; SMN2 4352/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS RAB9A 2463/4885NPC1 65/4885SMN1; SMN2 4352/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS RAB9A 2463/4885NPC1 65/4885SMN1; SMN2 4352/4885
US-20090202483-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS RAB9A 2463/4885NPC1 65/4885SMN1; SMN2 4352/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS RAB9A 2463/4885NPC1 65/4885SMN1; SMN2 4352/4885
US-20080311075-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS RAB9A 2463/4885NPC1 65/4885SMN1; SMN2 4352/4885

“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.