SCHEMBL257680

SCHEMBL257680

CC(C)c1cc(C(=O)c2ccccc2)n(C)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
BCL2 P10415 1/20 0.47
MCL1 Q07820 1/20 0.47
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GLA P06280 1/20 0.40
LMNA P02545 4/20 0.39
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CXCR1 P25024 2/20 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
SCHEMBL15197142 0.90 GABRA1 (0.49) GABRA1GABRB1BCL2MCL1MAPT
SCHEMBL257671 0.86 GABRA1 (0.46) GABRA1GABRB1BCL2MCL1SMN1; SMN2
SCHEMBL10046853 0.80 FNTA (0.44) MCL1MAPTSMN1; SMN2ALDH1A1GLA
SCHEMBL256769 0.75 ALDH1A1 (0.42) MAPTSMN1; SMN2ALDH1A1GLALMNA
SCHEMBL15100751 0.75 PGR (0.45) MAPTSMN1; SMN2ALDH1A1GLAFNTA
SCHEMBL15197093 0.72 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1GLALMNA
SCHEMBL10937459 0.70 HDAC10 (0.53) MCL1MAPTSMN1; SMN2ALDH1A1GLA
Benzophenone SCHEMBL29127482 0.68 ALDH1A1 (0.74) GABRA1GABRB1MAPTSMN1; SMN2ALDH1A1
SCHEMBL2730209 0.68 MAPT (0.77) MCL1MAPTSMN1; SMN2ALDH1A1GLA
SCHEMBL256764 0.68 ALDH1A1 (0.49) MAPTSMN1; SMN2ALDH1A1GLAPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895552-B2 Cyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-25 US disclosed
US-8895552-B2 Cyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-25 US disclosed
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-08-22 US disclosed
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-08-22 US disclosed
EP-2612848-A1 CYCLIC AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-07-10 EP disclosed
WO-2012029942-A1 CYCLIC AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2012-03-08 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 (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-20130217692-A1 CYCLIC AMIDE DERIVATIVE HDAC10, H1-10, H1-0 GABRA1 3213/4885GABRB1 2434/4885BCL2 2960/4885

“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.