SCHEMBL16129353

SCHEMBL16129353

Cc1cc(Br)ccc1C(=O)N1CCS(=O)(=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.42
HTT P42858 1/20 0.42
GPR6 P46095 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SPR P35270 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CASP6 P55212 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL1447243 0.85 POLB (0.57) HPGDHTTGPR6TSHRPOLB
SCHEMBL256310 0.84 HPGD (0.59) HPGDHTTTSHRPOLBNPC1
SCHEMBL4243617 0.84 HTT (0.58) HPGDHTTTSHRPOLBNPC1
SCHEMBL2104229 0.83 HPGD (0.59) HPGDHTTTSHRNPC1RAB9A
SCHEMBL2799115 0.82 DGAT1 (0.49) HPGDTSHRNPC1RAB9AGAA
SCHEMBL19086436 0.82 HTT (0.47) HPGDHTTGPR6TSHRPOLB
SCHEMBL970089 0.81 HPGD (0.55) HPGDHTTPOLBRAB9AGAA
SCHEMBL19869975 0.81 RXFP1 (0.48) HPGDHTTGPR6TSHRHRH4
SCHEMBL16098874 0.81 HPGD (0.54) HPGDHTTGPR6TSHRGAA
SCHEMBL1447805 0.80 POLB (0.68) HPGDHTTTSHRPOLBNPC1

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
US-10059705-B2 Acyclic cyanoethylpyrazolo pyridones as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-08-28 US disclosed
EP-2976341-B1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-02-28 EP disclosed
EP-2976341-B1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-02-28 EP disclosed
US-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 US disclosed
US-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 US disclosed
US-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 US disclosed
WO-2014146493-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 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 (2 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-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 HPGD 798/4885HTT 4814/4885GPR6 1309/4885
US-10059705-B2 Acyclic cyanoethylpyrazolo pyridones as janus kinase inhibitors JAK1, JAK2, JAK3 HPGD 798/4885HTT 4814/4885GPR6 1309/4885

“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.