SCHEMBL87896

SCHEMBL87896

C=CCN(CC=C)S(=O)(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
S1PR1 P21453 1/20 0.33
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL8652753 0.77 KDM4E (0.39) KDM4EPOLBTDP1MEN1KMT2A
SCHEMBL11031928 0.77 KDM4E (0.39) KDM4EPOLBTDP1MEN1KMT2A
SCHEMBL973944 0.77 KDM4E (0.39) KDM4EPOLBTDP1MEN1KMT2A
SCHEMBL1082242 0.76
SCHEMBL6431047 0.74 KDM4E (0.38) KDM4EPOLBTDP1MEN1KMT2A
SCHEMBL5229737 0.74
SCHEMBL1079249 0.72 CA2 (0.40) KDM4EPOLBTDP1MEN1KMT2A
SCHEMBL17318162 0.72 KDM4E (0.37) KDM4EPOLBTDP1MEN1KMT2A
SCHEMBL10944528 0.72 KDM4E (0.37) KDM4EPOLBTDP1MEN1KMT2A
SCHEMBL1068735 0.72 KDM4E (0.37) KDM4EPOLBTDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992008696-A1 HERBICIDES DUNLENA PTY. LIMITED (AU) 1992-05-29 WO claimed
CN-112521368-B Triazole N-linked carbamoyl cyclohexyl acid as LPA antagonists 百时美施贵宝公司 2023-12-05 CN disclosed
US-20230192708-A1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES IDORSIA PHARMACEUTICALS LTD (CH) 2023-06-22 US disclosed
US-11608341-B2 Substituted tetrahydropyrazolo[3,4-d]pyrimidines and tetrahydropyrazolo[4,3-d]pyrimidines as C5A receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2023-03-21 US disclosed
CN-112521368-A Triazole N-linked carbamoylcyclohexanoic acids as LPA antagonists 百时美施贵宝公司 2021-03-19 CN disclosed
CN-112189010-A Triazole N-linked carbamoylcyclohexanoic acids as LPA antagonists 百时美施贵宝公司 2021-01-05 CN disclosed
US-20200369672-A1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES IDORSIA PHARMACEUTICALS LTD. (CH) 2020-11-26 US disclosed
EP-3737684-A1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES Idorsia Pharmaceuticals Ltd (CH) 2020-11-18 EP disclosed
EP-1961750-B1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO CO LTD (JP) 2013-09-18 EP disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-4230868-A α-Alkyl-α-hydroxybenzyl-substituted 1-sulfonylbenzimidazoles ELI LILLY AND COMPANY (US) 1980-10-28 US disclosed
US-4219499-A INTERMEDIATES FOR HERBICIDES, DYES AND ANTICARCINOGENS BASF AKTIENGESELLSCHAFT (DE) 1980-08-26 US disclosed
US-4196125-A VIRICIDES ELI LILLY AND COMPANY (US) 1980-04-01 US disclosed
US-4174454-A VIRICIDES ELI LILLY AND COMPANY (US) 1979-11-13 US disclosed
US-4131620-A ETHERIFICATION OF N-(2-HALOALKYL)-SULFAMIC ACID HALIDES BASF AKTIENGESELLSCHAFT (DE) 1978-12-26 US disclosed
US-4118573-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1978-10-03 US disclosed
US-4118742-A VIRICIDES ELI LILLY AND COMPANY (US) 1978-10-03 US disclosed
US-4096181-A Substituted sulfamic acid halides BASF AKTIENGESELLSCHAFT (DT) 1978-06-20 US disclosed
US-4049709-A Vinyl-substituted sulfamic acid halides BASF AKTIENGESELLSCHAFT (DT) 1977-09-20 US disclosed
US-4018790-A VIRICIDES ELI LILLY AND COMPANY (US) 1977-04-19 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 (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-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 KDM4E 996/4885POLB 3839/4885TDP1 4883/4885
US-20200369672-A1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES C3AR1, C5AR1, C5AR2 KDM4E 2095/4885POLB 4735/4885TDP1 2999/4885
US-20230192708-A1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES C3AR1, C5AR1, C5AR2 KDM4E 2095/4885POLB 4735/4885TDP1 2999/4885
US-11608341-B2 Substituted tetrahydropyrazolo[3,4-d]pyrimidines and tetrahydropyrazolo[4,3-d]pyrimidines as C5A receptor modulators C5AR1, C3AR1, C5AR2 KDM4E 2443/4885POLB 3301/4885TDP1 1852/4885

“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.