SCHEMBL19199788

SCHEMBL19199788

CN(CC(=O)OC(C)(C)C)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA2 P00918 1/20 0.35
NR1D1 P20393 1/20 0.32
CYP2D6 P10635 1/20 0.30
CTSD P07339 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30

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
SCHEMBL22021971 0.78 CA12 (0.32) CA12CA14CA1CA7CA2
SCHEMBL22059570 0.77 CA12 (0.33) MEN1KMT2ACA12CA14CA1
SCHEMBL16374978 0.77 ALDH1A1 (0.41) MEN1KMT2ACA12CA14
SCHEMBL18510032 0.76 DGAT1 (0.34) MEN1KMT2ACA12CA14CA1
SCHEMBL7176207 0.76 DGAT1 (0.34) CA12CA14CA1CA7CA2
SCHEMBL20087392 0.74 CA12 (0.53) CA12CA14CA1CA7CA2
SCHEMBL16766811 0.74 HDAC6 (0.41) CA12CA1CA2NR1D1
SCHEMBL13981283 0.73 CYP2D6 (0.38) CA12CA14CA1CA7CA2
SCHEMBL6629116 0.73 CA12 (0.50) MEN1KMT2ACA12CA1CA2
SCHEMBL27420033 0.73 NR1D1 (0.38) CA12CA14CA1CA7CA2

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-108473426-B Cyclic amine derivative and medical use thereof 东丽株式会社 2021-09-07 CN disclosed
US-10881649-B2 Therapeutic agent or preventive agent for alopecia areata TORAY INDUSTRIES, INC. (JP) 2021-01-05 US disclosed
US-10881649-B2 Therapeutic agent or preventive agent for alopecia areata TORAY INDUSTRIES, INC. (JP) 2021-01-05 US disclosed
US-20200215046-A1 THERAPEUTIC AGENT OR PREVENTIVE AGENT FOR ALOPECIA AREATA TORAY INDUSTRIES, INC. (JP) 2020-07-09 US disclosed
US-20200215046-A1 THERAPEUTIC AGENT OR PREVENTIVE AGENT FOR ALOPECIA AREATA TORAY INDUSTRIES, INC. (JP) 2020-07-09 US disclosed
EP-3409660-B1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES (JP) 2020-07-01 EP disclosed
EP-3659602-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR ALOPECIA AREATA Toray Industries, Inc. (JP) 2020-06-03 EP disclosed
CN-110913859-A Therapeutic or prophylactic agent for round alopecia 东丽株式会社 2020-03-24 CN disclosed
US-10364222-B2 Cyclic amine derivative and medical use thereof TORAY INDUSTRIES, INC. (JP) 2019-07-30 US disclosed
US-10364222-B2 Cyclic amine derivative and medical use thereof TORAY INDUSTRIES, INC. (JP) 2019-07-30 US disclosed
WO-2019022235-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR ALOPECIA AREATA 東レ株式会社 2019-01-31 WO disclosed
US-20180370916-A1 CYCLIC AMINE DERIVATIVE AND MEDICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2018-12-27 US disclosed
EP-3409660-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Toray Industries, Inc. (JP) 2018-12-05 EP disclosed
WO-2017131156-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF 東レ株式会社 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 (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-20200215046-A1 THERAPEUTIC AGENT OR PREVENTIVE AGENT FOR ALOPECIA AREATA RORA, RORB, RORC MEN1 4292/4885KMT2A 418/4885CA12 647/4885
US-20180370916-A1 CYCLIC AMINE DERIVATIVE AND MEDICAL USE THEREOF RORC, RORB, HRH3 MEN1 3267/4885KMT2A 960/4885CA12 2609/4885
US-10364222-B2 Cyclic amine derivative and medical use thereof RORC, RORB, HRH3 MEN1 3267/4885KMT2A 960/4885CA12 2609/4885
US-10881649-B2 Therapeutic agent or preventive agent for alopecia areata RORA, RORB, RORC MEN1 4292/4885KMT2A 418/4885CA12 647/4885

“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.