SCHEMBL19183153

SCHEMBL19183153

NCC1CCN(S(=O)(=O)CC(N)=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.39
LMNA P02545 2/20 0.37
PLG P00747 1/20 0.37
PLAT P00750 1/20 0.37
CNR1 P21554 4/20 0.36
ALDH1A1 P00352 1/20 0.35
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
MMP3 P08254 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32

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 SCHEMBL28264696 0.84 PLG (0.40) NCF1LMNAPLGPLATCNR1
SCHEMBL19201203 0.80 NCF1 (0.39) NCF1LMNAPLGPLATALDH1A1
SCHEMBL19201201 0.80 NCF1 (0.39) NCF1CNR1ALDH1A1CNR2KDM4E
Hydrochloric Acid SCHEMBL19183246 0.79 CYP3A4 (0.38) NCF1CNR1ALDH1A1CNR2POLB
Hydrochloric Acid SCHEMBL21570515 0.79 NCF1 (0.38) NCF1LMNAPLGPLATALDH1A1
SCHEMBL16977567 0.79 NCF1 (0.52) NCF1LMNAALDH1A1KDM4EPOLB
Hydrochloric Acid SCHEMBL17711696 0.77 NCF1 (0.50) NCF1LMNAALDH1A1KDM4EPOLB
SCHEMBL4637449 0.77 CA1 (0.42) LMNACNR1ALDH1A1KDM4EPOLB
SCHEMBL31336838 0.75 NCF1 (0.46) NCF1LMNAPLGPLATALDH1A1
SCHEMBL4634095 0.74 NCF1 (0.50) NCF1LMNAPLGPLATALDH1A1

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 14 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
EP-3408268-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA Vitae Pharmaceuticals, Inc. (US) 2018-12-05 EP disclosed
WO-2017132432-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. (US) 2017-08-03 WO 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 2580/4885LMNA 4216/4885PLG 4643/4885
US-10829481-B2 Benzimidazole derivatives as modulators of ROR-gamma RORB, RORC, RORA NCF1 2040/4885LMNA 4449/4885PLG 4548/4885
US-20210094940-A1 MODULATORS OF ROR-GAMMA RORC, RORB, RORA NCF1 1436/4885LMNA 4554/4885PLG 4727/4885

“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.