SCHEMBL17010140

SCHEMBL17010140

CC1(C)OC[C@H](CSc2ccc(Cl)cc2)N1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.41
CRBN Q96SW2 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 4/20 0.38
POLB P06746 2/20 0.38
FKBP1A P62942 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
NR4A1 P22736 1/20 0.36
HTT P42858 1/20 0.36
MCL1 Q07820 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL18959547 0.84 BRD4 (0.47) CTSKCRBNALDH1A1KMT2AKDM4E
SCHEMBL17010038 0.74 ACE (0.33)
SCHEMBL17103822 0.73 ALDH1A1 (0.38) ALDH1A1MAPT
SCHEMBL17010199 0.72 LMNA (0.36) LMNA
SCHEMBL6541226 0.72 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HPGDMAPTALOX15
SCHEMBL1067656 0.70 SPHK1 (0.31)
SCHEMBL1067660 0.70 SPHK1 (0.31)
SCHEMBL15270881 0.70 SPHK1 (0.31)
SCHEMBL3614629 0.70 SPHK1 (0.31)
SCHEMBL6540891 0.70 CCR3 (0.35) KMT2AMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3104707-B1 TREATMENT OF H. PYLORI INFECTIONS USING MTAN INHIBITORS ALBERT EINSTEIN COLLEGE MEDICINE INC (US) 2020-07-15 EP disclosed
US-10294233-B2 Treatment of H. pylori infections using MTAN inhibitors ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2019-05-21 US disclosed
US-20190016730-A1 TREATMENT OF H. PYLORI INFECTIONS USING MTAN INHIBITORS ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2019-01-17 US disclosed
US-10118928-B2 Treatment of H. pylori infections using MTAN inhibitors ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2018-11-06 US disclosed
US-20170166571-A1 TREATMENT OF H. PYLORI INFECTIONS USING MTAN INHIBITORS ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2017-06-15 US disclosed
EP-3104707-A1 TREATMENT OF H. PYLORI INFECTIONS USING MTAN INHIBITORS Albert Einstein College of Medicine, Inc. (US) 2016-12-21 EP disclosed
WO-2015123101-A1 TREATMENT OF H. PYLORI INFECTIONS USING MTAN INHIBITORS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2015-08-20 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-10118928-B2 Treatment of H. pylori infections using MTAN inhibitors MTAP, UNG, PNP CTSK 880/4885CRBN 3820/4885ALDH1A1 3097/4885
US-20170166571-A1 TREATMENT OF H. PYLORI INFECTIONS USING MTAN INHIBITORS MTAP, PNP, UNG CTSK 830/4885CRBN 3913/4885ALDH1A1 2781/4885
US-10294233-B2 Treatment of H. pylori infections using MTAN inhibitors MTAP, PNP, UNG CTSK 830/4885CRBN 3913/4885ALDH1A1 2781/4885
US-20190016730-A1 TREATMENT OF H. PYLORI INFECTIONS USING MTAN INHIBITORS MTAP, PNP, UNG CTSK 830/4885CRBN 3913/4885ALDH1A1 2781/4885

“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.