SCHEMBL16472292

SCHEMBL16472292

CCS(=O)(=O)N1CC(C)C(C(C)C)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 3/20 0.31
TSHR P16473 1/20 0.31
MCL1 Q07820 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 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
SCHEMBL24634255 0.82 TSHR (0.33) TSHR
SCHEMBL16472260 0.82 TSHR (0.33) TSHR
SCHEMBL16472414 0.80 KDM4E (0.36) POLBNPSR1L3MBTL1KDM4ETSHR
SCHEMBL16478641 0.80 KDM4E (0.36) POLBNPSR1L3MBTL1KDM4ETSHR
SCHEMBL21025379 0.74 POLB (0.37) POLBNPSR1L3MBTL1KDM4ETSHR
SCHEMBL16478755 0.71 KDM4E (0.32) POLBKDM4EALDH1A1ALOX15
SCHEMBL20690599 0.71 KDM4E (0.40) POLBNPSR1L3MBTL1KDM4ETSHR
SCHEMBL16477324 0.70 JAK2 (0.42)
SCHEMBL12384592 0.69 TSHR (0.41) NPSR1KDM4ETSHRALDH1A1
SCHEMBL19090252 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987268-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 US disclosed
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 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 (1 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-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES JAK3, JAK1, JAK2 POLB 2451/4885NPSR1 3477/4885L3MBTL1 4756/4885

“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.