SCHEMBL2591929

SCHEMBL2591929

O=C(O)CCCS(=O)(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
SLC22A6 Q4U2R8 2/20 0.50
APEX1 P27695 1/20 0.48
TSHR P16473 5/20 0.48
NFKB1 P19838 2/20 0.48
PMP22 Q01453 1/20 0.48
CAMK2A Q9UQM7 1/20 0.43
HDAC11 Q96DB2 4/20 0.42
KMT2A Q03164 2/20 0.42
GABRR3 A8MPY1 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
HDAC3 O15379 1/20 0.42
GABBR2 O75899 1/20 0.42
CYP1A2 P05177 1/20 0.42
THRB P10828 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRR1 P24046 1/20 0.42

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
Hydrochloric Acid SCHEMBL10885928 0.97 LMNA (0.48) LMNASLC22A6APEX1TSHRNFKB1
SCHEMBL11314481 0.92 LMNA (0.55) LMNASLC22A6APEX1TSHRNFKB1
Hydrochloric Acid SCHEMBL10884893 0.90 LMNA (0.52) LMNASLC22A6APEX1TSHRNFKB1
SCHEMBL7273217 0.83
SCHEMBL19784667 0.81 LMNA (0.53) LMNASLC22A6APEX1TSHRNFKB1
Hydrochloric Acid SCHEMBL10885226 0.81 APEX1 (0.57) LMNASLC22A6APEX1TSHRNFKB1
SCHEMBL10885920 0.79 ALDH1A1 (0.46) APEX1TSHRALDH1A1
SCHEMBL11330927 0.78 APEX1 (0.68) LMNASLC22A6APEX1TSHRNFKB1
SCHEMBL2289913 0.77 ALDH1A1 (0.43) LMNAKMT2AALDH1A1TDP1MEN1
SCHEMBL19152913 0.77 LMNA (0.48) LMNASLC22A6APEX1TSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802534-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS STING ACTIVATORS Incyte Corporation (US) 2021-04-14 EP disclosed
US-9670166-B2 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-06 US disclosed
EP-2953943-B1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2017-04-12 EP disclosed
US-20160340319-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2016-11-24 US disclosed
US-9290459-B1 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-22 US disclosed
US-20160060230-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2016-03-03 US disclosed
US-20160060231-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2016-03-03 US disclosed
EP-2953943-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY Boehringer Ingelheim International GmbH (DE) 2015-12-16 EP disclosed
CN-101801949-B Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA NV 2014-09-24 CN disclosed
EP-2566860-B1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-09-10 EP disclosed
WO-2014122160-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-14 WO disclosed
US-20140221335-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-07 US disclosed
EP-2566860-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS Bristol-Myers Squibb Company (US) 2013-03-13 EP disclosed
WO-2011140160-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-10 WO disclosed
CN-101801949-A Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA NV 2010-08-11 CN disclosed
US-4008267-A ANALYZING AB KABI (SW) 1977-02-15 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-20160060230-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, MPO LMNA 3269/4885SLC22A6 3040/4885APEX1 1003/4885
US-20160340319-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, MPO LMNA 3269/4885SLC22A6 3040/4885APEX1 1003/4885
US-20140221335-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, MPO LMNA 3269/4885SLC22A6 3040/4885APEX1 1003/4885
US-20160060231-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, MPO LMNA 3269/4885SLC22A6 3040/4885APEX1 1003/4885

“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.