SCHEMBL1521784

SCHEMBL1521784

CS(=O)(=O)N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
POLB P06746 1/20 0.55
TSHR P16473 3/20 0.52
KMT2A Q03164 3/20 0.52
USP2 O75604 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 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
SCHEMBL772025 1.00 CA1 (0.55) CA1CA2POLBTSHRKMT2A
SCHEMBL14907235 1.00 CA1 (0.55) CA1CA2POLBTSHRKMT2A
SCHEMBL2101944 1.00 CA1 (0.55) CA1CA2POLBTSHRKMT2A
SCHEMBL13565616 1.00 CA1 (0.55) CA1CA2POLBTSHRKMT2A
Hydrochloric Acid SCHEMBL16830708 0.97 CA1 (0.52) CA1CA2POLBTSHRKMT2A
Ammonia Solution, Strong SCHEMBL4301662 0.97 CA1 (0.52) CA1CA2POLBTSHRKMT2A
SCHEMBL12988565 0.97
SCHEMBL171574 0.97
SCHEMBL3123076 0.90
SCHEMBL12989189 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057422-A1 QUINOLINYL MODULATORS OF ROR(GAMMA)T Janssen Pharmaceutica NV (BE) 2016-08-24 EP claimed
EP-2651931-B1 FUSED DIHYDROPYRANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2015-08-19 EP claimed
WO-2015057626-A1 QUINOLINYL MODULATORS OF RORyT JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 WO claimed
US-20150111870-A1 QUINOLINYL MODULATORS OF RORyt JOHNSON & JOHNSON (US) 2015-04-23 US claimed
US-8669271-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-11 US claimed
EP-2651931-A1 FUSED DIHYDROPYRANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2013-10-23 EP claimed
US-20120322784-A1 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US claimed
WO-2012080476-A1 FUSED DIHYDROPYRANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 WO claimed
EP-3057422-B1 QUINOLINYL MODULATORS OF ROR(GAMMA)T JANSSEN PHARMACEUTICA NV (BE) 2019-05-15 EP disclosed
US-10201546-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2019-02-12 US disclosed
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2017-06-29 US disclosed
US-9624225-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-04-18 US disclosed
EP-3057422-A1 QUINOLINYL MODULATORS OF ROR(GAMMA)T Janssen Pharmaceutica NV (BE) 2016-08-24 EP disclosed
EP-2651931-B1 FUSED DIHYDROPYRANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2015-08-19 EP disclosed
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005087215-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005087751-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005087752-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 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 (5 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-20120322784-A1 Compounds, pharmaceutical compositions and uses thereof GPR119, GPR3, MRGPRX2 CA1 4043/4885CA2 1334/4885POLB 4602/4885
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP CA1 1599/4885CA2 3726/4885POLB 2000/4885
US-20150111870-A1 QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB CA1 3334/4885CA2 3345/4885POLB 4407/4885
US-10201546-B2 Quinolinyl modulators of RORγt RORC, RORB, RORA CA1 3821/4885CA2 3837/4885POLB 3767/4885
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB CA1 3334/4885CA2 3345/4885POLB 4407/4885

“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.