SCHEMBL505204

SCHEMBL505204

CC1CN(C(=O)O)CC=C1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.32
DRD1 P21728 5/20 0.32
DRD4 P21917 5/20 0.32
DRD5 P21918 5/20 0.32
DRD3 P35462 5/20 0.32
ABHD6 Q9BV23 1/20 0.31
CXCR2 P25025 2/20 0.31
PDK2 Q15119 3/20 0.30
CXCR1 P25024 1/20 0.30

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
SCHEMBL10181219 0.86 RORC (0.38)
SCHEMBL10179691 0.83 DRD2 (0.35) DRD2DRD1DRD4DRD5DRD3
SCHEMBL7881790 0.81 DRD2 (0.36) DRD2DRD1DRD4DRD5DRD3
SCHEMBL504734 0.80 PDK1 (0.47) PDK2
SCHEMBL21193763 0.77 CXCR2 (0.32) DRD2DRD1DRD4DRD5DRD3
SCHEMBL22550636 0.77
SCHEMBL17633413 0.75 DRD2 (0.32) DRD2DRD1DRD4DRD5DRD3
SCHEMBL19253110 0.75 CXCR2 (0.31) DRD2DRD1DRD4DRD5DRD3
SCHEMBL15635869 0.74 DRD2 (0.36) DRD2DRD1DRD4DRD5DRD3
SCHEMBL29206746 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4305040-A1 TRICYCLIC PYRIDINES AS CYCLIN-DEPENDENT KINASE 7 (CDK7) INHIBITORS JANSSEN Pharmaceutica NV (BE) 2024-01-17 EP disclosed
WO-2022189387-A1 TRICYCLIC PYRIDINES AS CYCLIN-DEPENDENT KINASE 7 (CDK7) INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-09-15 WO disclosed
US-20220152023-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-19 US disclosed
EP-3959206-A1 INHIBITORS OF TRPC6 Boehringer Ingelheim International GmbH (DE) 2022-03-02 EP disclosed
WO-2020208002-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-10-15 WO disclosed
US-10385036-B2 Sulfonamide-substituted indole modulators of RORC2 and methods of use thereof PFIZER INC. (US) 2019-08-20 US disclosed
US-20180273504-A1 Sulfonamide-Substituted Indole Modulators of RORC2 and Methods of Use Thereof PFIZER INC. (US) 2018-09-27 US disclosed
CN-103965168-A Aryl/heteroaryl-substituted 2-aminopyridine inhibitor for protein kinase CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD 2014-08-06 CN disclosed
CN-103965161-A Substituted 2-aminopyridine inhibitor for protein kinase CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD 2014-08-06 CN disclosed
US-20120245344-A1 GPR119 AGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2012-09-27 US disclosed
EP-2474540-A1 GPR119 AGONIST Nippon Chemiphar Co., Ltd. (JP) 2012-07-11 EP disclosed
EP-2414340-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
WO-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 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-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 DRD2 979/4885DRD1 1757/4885DRD4 2393/4885
US-20180273504-A1 Sulfonamide-Substituted Indole Modulators of RORC2 and Methods of Use Thereof RORC, RORB, RORA DRD2 2021/4885DRD1 2479/4885DRD4 2412/4885
US-20220152023-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC3 DRD2 2081/4885DRD1 2497/4885DRD4 2792/4885
US-20120245344-A1 GPR119 AGONIST GPR119, GPR4, GPR55 DRD2 267/4885DRD1 473/4885DRD4 674/4885
US-10385036-B2 Sulfonamide-substituted indole modulators of RORC2 and methods of use thereof RORC, RORB, RORA DRD2 2524/4885DRD1 2794/4885DRD4 2760/4885

“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.