SCHEMBL19201201

SCHEMBL19201201

COC(=O)CS(=O)(=O)N1CCC(CN)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.39
CYP3A4 P08684 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34

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
Hydrochloric Acid SCHEMBL19183246 0.98 CYP3A4 (0.38) NCF1CYP3A4TP53MAPTALDH1A1
SCHEMBL17557666 0.84 CYP3A4 (0.40) CYP3A4TP53MAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL17557631 0.83 CYP3A4 (0.40) CYP3A4TP53MAPTALDH1A1HPGD
SCHEMBL19201203 0.81 NCF1 (0.39) NCF1CYP3A4MAPTALDH1A1HPGD
SCHEMBL19183153 0.80 NCF1 (0.39) NCF1MAPTALDH1A1CNR1CNR2
Hydrochloric Acid SCHEMBL21570515 0.80 NCF1 (0.38) NCF1CYP3A4MAPTALDH1A1HPGD
SCHEMBL21987295 0.79 ALDH1A1 (0.48) CYP3A4TP53MAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL28264696 0.79 PLG (0.40) NCF1ALDH1A1CNR1TSHRL3MBTL1
SCHEMBL21798284 0.78 TSHR (0.38) CYP3A4TP53MAPTALDH1A1HPGD
SCHEMBL16977567 0.77 NCF1 (0.52) NCF1CYP3A4TP53MAPTALDH1A1

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
CN-114230523-A Benzimidazole derivatives as modulators of ROR-gamma 生命医药有限责任公司 2022-03-25 CN disclosed
EP-3939974-A1 MODULATORS OF ROR-GAMMA Vitae Pharmaceuticals, LLC (US) 2022-01-19 EP disclosed
CN-109071509-B Benzimidazole derivatives as modulators of ROR-gamma 生命医药有限责任公司 2021-11-30 CN disclosed
EP-3408268-B1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS LLC (US) 2021-08-04 EP disclosed
US-20210094940-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2021-04-01 US disclosed
US-20210094940-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2021-04-01 US disclosed
US-10829481-B2 Benzimidazole derivatives as modulators of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2020-11-10 US disclosed
US-10829481-B2 Benzimidazole derivatives as modulators of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2020-11-10 US disclosed
US-20190352286-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2019-11-21 US disclosed
US-20190352286-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2019-11-21 US disclosed
CN-109071509-A BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA 生命医药公司 2018-12-21 CN disclosed
WO-2017132432-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. (US) 2017-08-03 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 (3 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-20190352286-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA RORB, RORC, RORA NCF1 2580/4885CYP3A4 96/4885TP53 3904/4885
US-10829481-B2 Benzimidazole derivatives as modulators of ROR-gamma RORB, RORC, RORA NCF1 2040/4885CYP3A4 112/4885TP53 4128/4885
US-20210094940-A1 MODULATORS OF ROR-GAMMA RORC, RORB, RORA NCF1 1436/4885CYP3A4 444/4885TP53 4192/4885

“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.