SCHEMBL514685

SCHEMBL514685

CS(=O)(=O)c1ccc2c(c1)CCN2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
GFER P55789 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 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
SCHEMBL515171 0.90 CA12 (0.71) PNMTCA12CA1CA2CA9
SCHEMBL1128542 0.86 GFER (0.63) PNMTCA12CA1CA2CA9
SCHEMBL19778192 0.83 CA12 (0.54) PNMTCA12CA1CA2CA9
SCHEMBL1158722 0.82 CA12 (0.57) PNMTCA12CA1CA2CA9
SCHEMBL5187476 0.82 CA12 (0.57) PNMTCA12CA1CA2CA9
SCHEMBL3238863 0.82 CA1 (0.81) PNMTCA12CA1CA2CA9
SCHEMBL29710882 0.82 CA1 (0.81) PNMTCA12CA1CA2CA9
SCHEMBL994897 0.81 HTR2C (0.65) CA12CA1CA2CA9DRD2
SCHEMBL3237871 0.81 PNMT (0.61) PNMTCA12CA1CA2CA9
SCHEMBL12693806 0.78 HTR2C (0.65) PNMTCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643311-A1 BICYCLIC GPR119 MODULATORS Lupin Limited (IN) 2013-10-02 EP claimed
WO-2012069917-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2012-05-31 WO claimed
US-12012411-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-18 US disclosed
EP-4019515-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES Dana-Farber Cancer Institute, Inc. (US) 2022-06-29 EP disclosed
US-20220106321-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-04-07 US disclosed
US-11279704-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-03-22 US disclosed
CN-108440370-B Inhibitors of viral replication 鲁汶天主教大学 2021-07-30 CN disclosed
EP-3617192-A1 VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2020-03-04 EP disclosed
US-10550123-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2020-02-04 US disclosed
US-20190337954-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2019-11-07 US disclosed
EP-2760831-B1 VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH (BE) 2019-08-07 EP disclosed
WO-2007015809-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 US disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 US disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 US disclosed
WO-2006127287-A2 PYRROLOPYRIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-30 WO disclosed
US-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-11-23 US disclosed
US-7101869-B2 2,4-diaminopyrimidine compounds useful as immunosuppressants PFIZER INC. (US) 2006-09-05 US disclosed
EP-1242403-B1 2,4-DIAMINOPYRIMIDINE COMPOUNDS USFUL AS IMMUNOSUPPRESSANTS PFIZER PROD INC (US) 2006-01-04 EP disclosed
US-20030191307-A1 2,4-Diaminopyrimidine compounds useful as immunosuppressants BLUMENKOPF TODD A (US) 2003-10-09 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 (8 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-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods DPP4, DPP9, DPP3 PNMT 810/4885CA12 4175/4885CA1 3057/4885
US-20030191307-A1 2,4-Diaminopyrimidine compounds useful as immunosuppressants CCR1, AOC1, NOD1 PNMT 2920/4885CA12 1709/4885CA1 544/4885
US-20070021442-A1 HIV reverse transcriptase inhibitors POLRMT, RNGTT, POLR2E PNMT 2229/4885CA12 4671/4885CA1 4588/4885
US-11279704-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 PNMT 1286/4885CA12 4806/4885CA1 4869/4885
US-20190337954-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 PNMT 1286/4885CA12 4806/4885CA1 4869/4885
US-10550123-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 PNMT 1286/4885CA12 4806/4885CA1 4869/4885
US-20220106321-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 PNMT 1286/4885CA12 4806/4885CA1 4869/4885
US-12012411-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 PNMT 1286/4885CA12 4806/4885CA1 4869/4885

“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.