SCHEMBL6723241

SCHEMBL6723241

CC12CCCCCC1CC2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LIPA P38571 1/20 0.40
SIGMAR1 Q99720 7/20 0.34
GAA P10253 1/20 0.33
CYP11B2 P19099 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL17048860 0.97
SCHEMBL11324326 0.95 LIPA (0.39) LIPASIGMAR1GAACYP11B2LMNA
SCHEMBL6941115 0.95 LIPA (0.39) LIPASIGMAR1GAACYP11B2LMNA
SCHEMBL1297508 0.95 LIPA (0.39) LIPASIGMAR1GAACYP11B2LMNA
SCHEMBL6814313 0.95 LIPA (0.39) LIPASIGMAR1GAACYP11B2LMNA
SCHEMBL23885014 0.95 LIPA (0.39) LIPASIGMAR1GAACYP11B2LMNA
SCHEMBL19502301 0.95 LIPA (0.39) LIPASIGMAR1GAACYP11B2LMNA
SCHEMBL2049106 0.95 LIPA (0.39) LIPASIGMAR1GAACYP11B2LMNA
SCHEMBL10452360 0.95 LIPA (0.39) LIPASIGMAR1GAACYP11B2LMNA
SCHEMBL15261953 0.92 LIPA (0.40) LIPAGAACYP11B2LMNAMAPT

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-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed
EP-3110810-A1 PYRAZOLE AMIDE DERIVATIVE Teijin Pharma Limited (JP) 2017-01-04 EP disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US disclosed
WO-2015129926-A1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-09-03 WO disclosed
US-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria HOKURIKU SEIYAKU CO., LTD. (JP) 2004-07-01 US disclosed
EP-1323726-A1 ERYTHROMYCIN DERIVATIVES AND MEDICINES CONTAINING THE SAME HOKURIKU SEIYAKU CO., LTD. (JP) 2003-07-02 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 (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-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria MAPRE1, MAPRE2, MRPS27 LIPA 463/4885SIGMAR1 149/4885GAA 2507/4885
US-20150266824-A1 Pyrazole Amide Derivative RORC, RORB, RORA LIPA 3922/4885SIGMAR1 2847/4885GAA 3413/4885

“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.