SCHEMBL16809642

SCHEMBL16809642

CCOC(=O)C1CCN(C(=O)Cl)CC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.68
ALDH1A1 P00352 5/20 0.64
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
GAA P10253 3/20 0.55
KDM4E B2RXH2 2/20 0.55
POLB P06746 1/20 0.55
TSHR P16473 3/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPC1 O15118 1/20 0.52

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
SCHEMBL1720494 0.85 MAPT (0.72) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL8878038 0.85 MAPT (0.62) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL5885563 0.84 MAPT (0.70) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL900124 0.84 MAPT (0.70) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL5605709 0.83 ALDH1A1 (0.66) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL12297020 0.82 ALDH1A1 (0.69) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL5010663 0.82 MAPT (0.68) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL13130067 0.82 MAPT (0.68) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL6983298 0.82 MAPT (0.68) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL7977253 0.82 MAPT (0.68) MAPTALDH1A1CYP3A4CYP2D6CYP2C9

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-107098871-B Phenyl propionamide derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-07-02 CN disclosed
US-10280169-B2 Biaryl bruton's tyrosine kinase inhibitors BIOGEN MA INC. (US) 2019-05-07 US disclosed
EP-3006431-B1 TIZOXANIDE CARBAMATE AND PHARMACEUTICAL USE THEREOF INST PHARMACOLOGY & TOXICOLOGY ACADEMY MILITARY MEDICAL SCIENCES PLA CHINA (CN) 2019-01-30 EP disclosed
EP-3092229-B1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-28 EP disclosed
US-20160340326-A1 Tizoxanide Carbamate and Pharmaceutical Use Thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2016-11-24 US disclosed
US-20160340326-A1 Tizoxanide Carbamate and Pharmaceutical Use Thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2016-11-24 US disclosed
EP-3092229-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS Bristol-Myers Squibb Company (US) 2016-11-16 EP disclosed
US-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-11-10 US disclosed
US-20160318935-A1 BIARYL BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN MA INC. 2016-11-03 US disclosed
US-20160318935-A1 BIARYL BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN MA INC. 2016-11-03 US disclosed
US-9458171-B2 Pyrrolidinyl sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed
WO-2015103509-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-09 WO disclosed
WO-2015089327-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN IDEC MA INC. (US) 2015-06-18 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 (5 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-20160340326-A1 Tizoxanide Carbamate and Pharmaceutical Use Thereof CYP2C9, CA9, CYP3A7 MAPT 1657/4885ALDH1A1 1653/4885CYP3A4 18/4885
US-20160318935-A1 BIARYL BRUTON'S TYROSINE KINASE INHIBITORS ABL1, BTK, LYN MAPT 4569/4885ALDH1A1 4256/4885CYP3A4 2782/4885
US-10280169-B2 Biaryl bruton's tyrosine kinase inhibitors ABL1, BTK, LYN MAPT 4569/4885ALDH1A1 4256/4885CYP3A4 2782/4885
US-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS RORC, RORB, RORA MAPT 385/4885ALDH1A1 1327/4885CYP3A4 387/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA MAPT 314/4885ALDH1A1 1269/4885CYP3A4 544/4885

“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.