SCHEMBL795458

SCHEMBL795458

CS(=O)(=O)OCC1CNC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MMP9 P14780 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL4904229 0.84 SLC6A1 (0.41) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL4908632 0.84 SLC6A1 (0.41) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL4361686 0.84 SLC6A1 (0.41) KDM4EUSP2ALDH1A1LMNAMMP9
Tert-Butyl Formate SCHEMBL28013971 0.83 TDP1 (0.41)
SCHEMBL28863484 0.81 SCN9A (0.43) LMNATSHR
SCHEMBL3444600 0.81 SCN9A (0.43) LMNATSHR
SCHEMBL28241589 0.81 SCN9A (0.43) LMNATSHR
SCHEMBL903961 0.78 KDM4E (0.34) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL671201 0.78 TDP1 (0.40) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL30605523 0.78 USP2 (0.44) KDM4EUSP2ALDH1A1LMNAMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023071998-A1 NOVEL PYRIDO OR TRIAZINE-SUBSTITUTED PYRIDO HETEROCYCLIC COMPOUND 杭州德睿智药科技有限公司 2023-05-04 WO disclosed
WO-2018108954-A1 PROCESS FOR THE PREPARATION OF 2-(3-(FLUOROMETHYL)AZETIDIN-1-YL)ETHAN-1-OL F. HOFFMANN-LA ROCHE AG (CH) 2018-06-21 WO disclosed
EP-3066090-A1 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE iTeos Therapeutics (BE) 2016-09-14 EP disclosed
EP-3010501-A1 ESTROGEN RECEPTOR MODULATOR AND USES THEREOF Seragon Pharmaceuticals, Inc. (US) 2016-04-27 EP disclosed
WO-2015067782-A1 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-05-14 WO disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
WO-2014205138-A1 ESTROGEN RECEPTOR MODULATOR AND USES THEREOF SERAGON PHARMACEUTICALS, INC. (US) 2014-12-24 WO disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
EP-2058302-B1 METHOD FOR PRODUCING PHENOXYPYRIDINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2013-04-17 EP disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 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 (2 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-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 KDM4E 3067/4885USP2 3711/4885ALDH1A1 439/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 KDM4E 3067/4885USP2 3711/4885ALDH1A1 439/4885

“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.