SCHEMBL2600848

SCHEMBL2600848

Cc1nc(NC(=O)OC(C)(C)C)cs1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 1/20 0.42
PTPRB P23467 1/20 0.41
LCK P06239 6/20 0.40
GRM5 P41594 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
PSMB8 P28062 1/20 0.37
METAP1 P53582 1/20 0.37
SCN9A Q15858 1/20 0.36

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
SCHEMBL27331084 0.84 MAPK1 (0.40) PI4KBPTPRBGRM5ALDH1A1HPGD
SCHEMBL21705628 0.84 LCK (0.41) PI4KBLCKCA1CA2SMN1; SMN2
SCHEMBL21695367 0.83 GRM5 (0.42) GRM5ALDH1A1HPGDSMN1; SMN2
SCHEMBL20557380 0.83 PI4KB (0.39) PI4KBLCKCA1CA2GSK3B
SCHEMBL26678642 0.81 PI4KB (0.38) PI4KBLCKCA1CA2GSK3B
SCHEMBL4909182 0.81 METAP1 (0.45) PI4KBPTPRBLCKGRM5METAP1
SCHEMBL27334928 0.80 SCN9A (0.50) PI4KBPTPRBSCN9A
SCHEMBL24044235 0.80 CDK5 (0.44) PI4KBLCKCA1CA2GSK3B
SCHEMBL22031128 0.80 CA1 (0.39) PI4KBLCKCA1CA2GSK3B
SCHEMBL28935820 0.80 GSK3B (0.38) PI4KBLCKCA1CA2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12331046-B2 CTPS1 inhibitors and uses thereof NIMBUS CLOTHO, INC. (US) 2025-06-17 US disclosed
EP-4232425-A1 CTPS1 INHIBITORS AND USES THEREOF Nimbus Clotho, Inc. (US) 2023-08-30 EP disclosed
CN-116601131-A CTPS1 inhibitor and application thereof 林伯士克洛索有限公司 2023-08-15 CN disclosed
US-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-09 US disclosed
US-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-09 US disclosed
CN-115611895-A Arylamino derivative estrogen receptor modulators and uses thereof 四川海思科制药有限公司 2023-01-17 CN disclosed
WO-2022087634-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS CLOTHO, INC. (US) 2022-04-28 WO disclosed
WO-2017051303-A1 TETRAHYDROPYRANO[3,4-D][1,3]OXAZIN DERIVATIVES AND THEIR USE AS BACE INHIBITORS PFIZER INC. (US) 2017-03-30 WO disclosed
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
US-8158658-B2 Heteroaromatic selective inhibitors of neuronal nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2012-04-17 US disclosed
US-7994326-B2 For treatment of various forms of neurodegeneration, including that from stroke, Alzheimer's disease, Parkinson's disease, and Huntington's disease NORTHWESTERN UNIVERSITY (US) 2011-08-09 US disclosed
EP-2287162-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP disclosed
EP-2287161-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-23 EP disclosed
US-20090104677-A1 Heteroaromatic Selective Inhibitors of Neuronal Nitric Oxide Synthase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-23 US disclosed
US-20090104677-A1 Heteroaromatic Selective Inhibitors of Neuronal Nitric Oxide Synthase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-23 US disclosed
US-7470790-B2 Heteroaromatic selective inhibitors of neuronal nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2008-12-30 US disclosed
US-7470790-B2 Heteroaromatic selective inhibitors of neuronal nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2008-12-30 US disclosed
US-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-08 US disclosed
US-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-08 US disclosed
WO-2008042353-A1 POTENT AND HIGHLY SELECTIVE HETEROAROMATIC INHIBITORS OF NEURONAL NITRIC OXIDE SYNTHASE NORTHWESTERN UNIVERSITY (US) 2008-04-10 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-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF CTPS1, CTPS2, ECHS1 PI4KB 1447/4885PTPRB 2590/4885LCK 4375/4885
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 PI4KB 2134/4885PTPRB 1577/4885LCK 2066/4885
US-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NOS1, NOS2, NOS3 PI4KB 4154/4885PTPRB 3198/4885LCK 1313/4885
US-12331046-B2 CTPS1 inhibitors and uses thereof CTPS1, CTPS2, ECHS1 PI4KB 1447/4885PTPRB 2590/4885LCK 4375/4885

“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.