SCHEMBL765729

SCHEMBL765729

CS(=O)(=O)N1CC[C@H](NCl)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.41
TSHR P16473 2/20 0.40
KDM1A O60341 1/20 0.40
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.40
FABP6 P51161 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
RAB9A P51151 1/20 0.36
IKBKB O14920 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35

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
SCHEMBL962299 0.83 TP53 (0.43) TP53ALDH1A1TSHRKDM1AEPHX1
SCHEMBL962569 0.83 TP53 (0.43) TP53ALDH1A1TSHRKDM1AEPHX1
SCHEMBL12225575 0.83 TP53 (0.43) TP53ALDH1A1TSHRKDM1AEPHX1
SCHEMBL21556645 0.82 TP53 (0.42) TP53ALDH1A1TSHRKDM1AEPHX1
SCHEMBL12820441 0.82 TP53 (0.42) TP53ALDH1A1TSHRKDM1AEPHX1
SCHEMBL26309055 0.80 TP53 (0.41) TP53ALDH1A1TSHRKDM1AEPHX1
SCHEMBL12404074 0.80 TP53 (0.41) TP53ALDH1A1TSHRKDM1AEPHX1
SCHEMBL12404082 0.80 TP53 (0.41) TP53ALDH1A1TSHRKDM1AEPHX1
SCHEMBL12750460 0.79 FABP6 (0.42) TP53ALDH1A1TSHRKDM1AEPHX1
SCHEMBL773447 0.79 ADH1B (0.41) TP53ALDH1A1TSHRKDM1AEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791139-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS Dr Reddys Laboratories Ltd (IN) 2017-11-08 EP disclosed
US-9289419-B2 Substituted heterocyclic compounds as tropomyosin receptor kinase a (TrkA) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2016-03-22 US disclosed
US-20150164869-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-06-18 US disclosed
US-9045479-B2 Substituted heterocyclic compounds as tropomyosin receptor kinase a (TrkA) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2015-06-02 US disclosed
US-20150005280-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-01-01 US disclosed
US-8211904-B2 Spiropiperidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-07-03 US disclosed
EP-1910364-B1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2012-03-21 EP disclosed
WO-2007011833-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2007-01-25 WO disclosed
US-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2007-01-25 US 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-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease BACE1, APP, PSEN1 TP53 3781/4885ALDH1A1 717/4885TSHR 4146/4885
US-20150005280-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS NTRK1, MUSK, NTRK3 TP53 702/4885ALDH1A1 2629/4885TSHR 362/4885
US-20150164869-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS NTRK1, MUSK, NTRK3 TP53 702/4885ALDH1A1 2629/4885TSHR 362/4885

“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.