SCHEMBL17709156

SCHEMBL17709156

CCOC(=O)c1csc(C(O)CC(=O)c2ccc(OC)cc2O)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.52
NPC1 O15118 6/20 0.52
MAPT P10636 4/20 0.51
HSP90AA1 P07900 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.45
CYP19A1 P11511 1/20 0.43
ABCB1 P08183 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL17709077 0.84 RAB9A (0.45) RAB9ANPC1MAPTHSP90AA1SMN1; SMN2
SCHEMBL12391267 0.75 MAPT (0.55) RAB9ANPC1MAPTHSP90AA1SMN1; SMN2
SCHEMBL17779153 0.72 CA12 (0.73) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL12548274 0.70 RAB9A (0.59) RAB9ANPC1MAPTHSP90AA1SMN1; SMN2
SCHEMBL1667066 0.69 RAB9A (0.51) RAB9ANPC1MAPTHSP90AA1SMN1; SMN2
SCHEMBL21788032 0.69 RAB9A (0.43) RAB9ANPC1MAPTHSP90AA1SMN1; SMN2
SCHEMBL28047855 0.69 NPC1 (0.62) RAB9ANPC1MAPTSMN1; SMN2CYP19A1
SCHEMBL2440072 0.69 RAB9A (0.60) RAB9ANPC1MAPTHSP90AA1SMN1; SMN2
SCHEMBL7071567 0.68 MAPT (1.00) RAB9ANPC1MAPTHSP90AA1SMN1; SMN2
SCHEMBL22458201 0.68 RAB9A (0.50) RAB9ANPC1MAPTHSP90AA1SMN1; SMN2

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
CN-107405337-B Substituted chromans and methods of use 艾伯维公司 2021-02-09 CN disclosed
EP-3212189-B1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE OVERSEAS SÀ RL (LU) 2020-09-09 EP disclosed
US-20190127356-A1 Substituted Chromanes and Method of Use ABBVIE OVERSEAS S.Á.R.L. (LU) 2019-05-02 US disclosed
CN-107405337-A Substituted chroman and application method 艾伯维公司 2017-11-28 CN disclosed
EP-3212189-A1 SUBSTITUTED CHROMANES AND METHOD OF USE AbbVie S.À.R.L. (LU) 2017-09-06 EP disclosed
US-20170190693-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE S À R L (LU) 2017-07-06 US disclosed
US-9642831-B2 Substituted chromanes and method of use ABBVIE S.Á.R.L. (LU) 2017-05-09 US disclosed
WO-2016069757-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE INC. (US) 2016-05-06 WO disclosed
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE GLOBAL LIMITED (BM) 2016-05-05 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-20170190693-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 RAB9A 509/4885NPC1 1450/4885MAPT 4880/4885
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 RAB9A 509/4885NPC1 1450/4885MAPT 4880/4885
US-20190127356-A1 Substituted Chromanes and Method of Use CFTR, CHRM3, CHRM2 RAB9A 509/4885NPC1 1450/4885MAPT 4880/4885

“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.