SCHEMBL128373

SCHEMBL128373

[CH2]Cc1ccc(C(C)(C)C(=O)O)s1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BLM P54132 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PRNP P04156 1/20 0.31
RECQL P46063 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
DAO P14920 1/20 0.31
PPARA Q07869 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
SCHEMBL6080826 0.82 LMNA (0.34) TSHRLMNAMAPK1KMT2AHPGD
SCHEMBL132097 0.76 TSHR (0.37) TSHRLMNAMAPK1KMT2AHPGD
SCHEMBL132098 0.73 DAO (0.47) TSHRLMNAMAPK1KMT2AHPGD
SCHEMBL1492685 0.72 DAO (0.45) TSHRLMNAMAPK1KMT2AHPGD
SCHEMBL27736198 0.72 DAO (0.55) TSHRLMNAMAPK1KMT2AHPGD
SCHEMBL131573 0.69 SLC6A3 (0.37)
SCHEMBL18349188 0.68 KMT2A (0.44) TSHRLMNAMAPK1KMT2AHPGD
SCHEMBL127935 0.67 DAO (0.48) LMNAKMT2AHPGDALDH1A1PRNP
SCHEMBL21448943 0.67 KMT2A (0.46) TSHRLMNAMAPK1KMT2AHPGD
SCHEMBL128088 0.67 MLYCD (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP 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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 TSHR 1420/4885LMNA 1679/4885MAPK1 3503/4885

“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.