SCHEMBL288153

SCHEMBL288153

CS(=O)(=O)N1CCc2cc(Br)ccc21

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
POLB P06746 2/20 0.57
GLA P06280 1/20 0.57
HPGD P15428 1/20 0.55
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
RAB9A P51151 5/20 0.53
PKM P14618 1/20 0.52
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.47
MMP13 P45452 1/20 0.47

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
SCHEMBL2880384 0.90 MEN1 (0.53) NPC1MEN1KMT2APOLBGLA
SCHEMBL29594778 0.84 NPC1 (0.57) NPC1MEN1KMT2APOLBGLA
SCHEMBL2880232 0.84 MAPT (0.62) NPC1MEN1KMT2APOLBCYP11B1
SCHEMBL2881602 0.83 CYP11B1 (0.56) NPC1MEN1KMT2APOLBGLA
SCHEMBL5024162 0.81 POLB (0.58) NPC1MEN1KMT2APOLBGLA
SCHEMBL2882290 0.80 MAPT (0.53) NPC1MEN1KMT2APOLBGLA
SCHEMBL852214 0.80 POLB (0.57) NPC1MEN1KMT2APOLBGLA
SCHEMBL9464873 0.80 POLB (0.57) NPC1MEN1KMT2APOLBGLA
SCHEMBL30264508 0.80 POLB (0.57) NPC1MEN1KMT2APOLBGLA
SCHEMBL26005660 0.79 MAPT (0.63) POLBCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102746240-B anti-infective pyrimidines and uses thereof 艾伯维巴哈马有限公司 2017-10-03 CN disclosed
EP-2639226-B1 Anti-infective pyrimidines and uses thereof ABBVIE BAHAMAS LTD (BS) 2016-08-31 EP disclosed
US-9139536-B2 Anti-infective agents and uses thereof ABBVIE INC. (US) 2015-09-22 US disclosed
US-9095590-B2 Anti-infective agents and uses thereof ABBVIE INC. (US) 2015-08-04 US disclosed
US-20140294766-A1 Anti-Infective Agents and Uses Thereof ABBVIE INC (US) 2014-10-02 US disclosed
US-20140235638-A1 Anti-Infective Agents and Uses Thereof ABBVIE INC. (US) 2014-08-21 US disclosed
EP-2368882-B1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBVIE BAHAMAS LTD (BS) 2014-08-13 EP disclosed
EP-2725015-A1 Uracil or thymine derivative for treating hepatitis c AbbVie Bahamas Ltd. (BS) 2014-04-30 EP disclosed
EP-2639226-A1 Anti-infective pyrimidines and uses thereof ABBOTT LABORATORIES (US) 2013-09-18 EP disclosed
US-8501238-B2 Anti-infective agents and uses thereof ABBVIE INC. (US) 2013-08-06 US disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 US disclosed
WO-2010127855-A1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2010-11-11 WO disclosed
WO-2010127855-A1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2010-11-11 WO disclosed
CN-101842360-A Anti-infective pyrimidines and uses thereof ABBOTT LAB 2010-09-22 CN disclosed
EP-2222646-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C Abbott Laboratories (US) 2010-09-01 EP disclosed
CN-101801935-A Uracil or thymine derivatives for the treatment of hepatitis C ABBOTT LAB 2010-08-11 CN disclosed
EP-2203431-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF Abbott Laboratories (US) 2010-07-07 EP disclosed
US-20090186912-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-07-23 US disclosed
WO-2009039134-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 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 (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-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands TRPV1, UTS2R, CNR2 NPC1 1285/4885MEN1 4682/4885KMT2A 3101/4885
US-20140294766-A1 Anti-Infective Agents and Uses Thereof MPO, SERPINB1, ELANE NPC1 188/4885MEN1 3463/4885KMT2A 4704/4885
US-20140235638-A1 Anti-Infective Agents and Uses Thereof MPO, ELANE, LPO NPC1 188/4885MEN1 3508/4885KMT2A 4715/4885
US-20090186912-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF MPO, SERPINB1, ELANE NPC1 188/4885MEN1 3463/4885KMT2A 4704/4885

“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.