SCHEMBL12106

SCHEMBL12106

CCCCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCN(C(C)=O)CC3)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.73
ALDH1A1 P00352 1/20 0.64
PABPC1 P11940 1/20 0.52
DRD2 P14416 4/20 0.48
DRD3 P35462 4/20 0.48
HTR6 P50406 3/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
POLB P06746 1/20 0.48
MLNR O43193 1/20 0.47
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL12332 0.85 NPC1 (1.00) NPC1ALDH1A1PABPC1POLBLMNA
SCHEMBL12597638 0.81 PABPC1 (0.57) NPC1ALDH1A1PABPC1DRD2DRD3
SCHEMBL14839 0.81 PABPC1 (0.57) NPC1ALDH1A1PABPC1POLB
SCHEMBL12598486 0.80 PABPC1 (0.61) NPC1ALDH1A1PABPC1DRD2DRD3
SCHEMBL1978011 0.80 PABPC1 (0.63) NPC1ALDH1A1PABPC1DRD2DRD3
SCHEMBL1979594 0.79 PABPC1 (0.62) ALDH1A1PABPC1POLBLMNA
SCHEMBL12597647 0.79 PABPC1 (0.64) ALDH1A1PABPC1DRD2DRD3HTR6
SCHEMBL12597569 0.79 PABPC1 (0.56) NPC1ALDH1A1PABPC1POLBLMNA
SCHEMBL12598063 0.79 PABPC1 (0.61) NPC1ALDH1A1PABPC1DRD2DRD3
SCHEMBL7605183 0.78 ALDH1A1 (1.00) NPC1ALDH1A1PABPC1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240071588-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS SERVIER PHARMACEUTICALS LLC (US) 2024-02-29 US disclosed
EP-3561077-B1 METHODS FOR CELL-PROLIFERATION-RELATED DISORDERS SERVIER LAB (FR) 2022-12-21 EP disclosed
US-20200281501-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS SERVIER PHARMACEUTICALS LLC 2020-09-10 US disclosed
US-10711314-B2 Methods for diagnosing IDH-mutant cell proliferation disorders AGIOS PHARMACEUTICALS, INC. (US) 2020-07-14 US disclosed
US-10610125-B2 Methods and compositions for cell-proliferation-related disorders AGIOS PHARMACEUTICALS, INC. (US) 2020-04-07 US disclosed
EP-3561077-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS Agios Pharmaceuticals, Inc. (US) 2019-10-30 EP disclosed
US-20190276894-A1 METHOD FOR TREATING CELL PROLIFERATION RELATED DISORDERS SERVIER PHARMACEUTICALS LLC 2019-09-12 US disclosed
EP-2406389-B1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS AGIOS PHARMACEUTICALS INC (US) 2019-05-08 EP disclosed
US-9982309-B2 Method for treating cell proliferation related disorders AGIOS PHARMACEUTICALS, INC. (US) 2018-05-29 US disclosed
US-20170325708-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS AGIOS PHARMACEUTICALS, INC. (US) 2017-11-16 US disclosed
EP-2491145-B1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS AGIOS PHARMACEUTICALS INC (US) 2016-03-09 EP disclosed
US-20150240286-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS AGIOS PHARMACEUTICALS, INC (US) 2015-08-27 US disclosed
US-20140187435-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS AGIOS PHARMACEUTICALS, INC (US) 2014-07-03 US disclosed
US-20130288284-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS SERVIER PHARMACEUTICALS LLC 2013-10-31 US disclosed
US-20130183281-A1 METHODS AND COMPOSITONS FOR CELL-PROLIFERATION-RELATED DISORDERS SERVIER PHARMACEUTICALS LLC 2013-07-18 US disclosed
US-20130035329-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2013-02-07 US disclosed
US-20120121515-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS SERVIER PHARMACEUTICALS LLC 2012-05-17 US disclosed
WO-2011072174-A1 THERAPEUTICALLY ACTIVE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CHARACTERIZED AS HAVING AN IDH MUTATION AGIOS PHARMACEUTICALS, INC. (US) 2011-06-16 WO disclosed
WO-2011050210-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS AGIOS PHARMACEUTICALS, INC. (US) 2011-04-28 WO disclosed
WO-2010105243-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS AGIOS PHARMACEUTICALS, INC. (US) 2010-09-16 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 (9 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-10711314-B2 Methods for diagnosing IDH-mutant cell proliferation disorders MKI67, IDH1, IDH3A NPC1 2312/4885ALDH1A1 489/4885PABPC1 2317/4885
US-10610125-B2 Methods and compositions for cell-proliferation-related disorders MKI67, BRCA1, CLN6 NPC1 808/4885ALDH1A1 2917/4885PABPC1 968/4885
US-20170325708-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS MKI67, BRCA1, CLN6 NPC1 808/4885ALDH1A1 2917/4885PABPC1 968/4885
US-20120121515-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS MKI67, BRCA1, CLN6 NPC1 808/4885ALDH1A1 2917/4885PABPC1 968/4885
US-20240071588-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS MKI67, BRCA1, CLN6 NPC1 808/4885ALDH1A1 2917/4885PABPC1 968/4885
US-20130183281-A1 METHODS AND COMPOSITONS FOR CELL-PROLIFERATION-RELATED DISORDERS IDH2, IDH1, MKI67 NPC1 3912/4885ALDH1A1 2900/4885PABPC1 1640/4885
US-20130035329-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, CD44 NPC1 927/4885ALDH1A1 2219/4885PABPC1 1099/4885
US-20200281501-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS MKI67, BRCA1, CLN6 NPC1 808/4885ALDH1A1 2917/4885PABPC1 968/4885
US-20190276894-A1 METHOD FOR TREATING CELL PROLIFERATION RELATED DISORDERS IDH2, IDH1, IDH3A NPC1 1385/4885ALDH1A1 1072/4885PABPC1 2460/4885

“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.