SCHEMBL10272819

SCHEMBL10272819

CCOC(=O)[C@@H](N)[C@H](O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 2/20 0.36
METAP2 P50579 8/20 0.35
METAP1 P53582 6/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
CAD P27708 1/20 0.33
HCAR2 Q8TDS4 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
SCHEMBL2982120 1.00 ALOX15 (0.38) ALOX15ALDH1A1METAP2METAP1LMNA
SCHEMBL17234506 0.82 ALOX15 (0.39) ALOX15ALDH1A1METAP2METAP1LMNA
SCHEMBL13337460 0.82 ALOX15 (0.39) ALOX15ALDH1A1METAP2METAP1LMNA
SCHEMBL2888355 0.82 ALOX15 (0.39) ALOX15ALDH1A1METAP2METAP1LMNA
SCHEMBL2888357 0.82 ALOX15 (0.39) ALOX15ALDH1A1METAP2METAP1LMNA
SCHEMBL15534315 0.80 ALOX15 (0.38) ALOX15ALDH1A1METAP2METAP1LMNA
SCHEMBL3906700 0.80 ALOX15 (0.38) ALOX15ALDH1A1METAP2METAP1LMNA
SCHEMBL5704673 0.78 ALDH1A1 (0.37) ALOX15ALDH1A1METAP2METAP1LMNA
SCHEMBL3220276 0.77 ALOX15 (0.42) ALOX15ALDH1A1METAP2METAP1LMNA
SCHEMBL24241888 0.76 ALOX15 (0.34) ALOX15ALDH1A1METAP2METAP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349544-A1 Ethynylbenzene Derivatives DUKE UNIVERSITY 2017-12-07 US disclosed
US-9738604-B2 Ethynylbenzene derivatives DUKE UNIVERSITY (US) 2017-08-22 US disclosed
US-20130231323-A1 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2013-09-05 US disclosed
WO-2012031298-A2 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 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 (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-20170349544-A1 Ethynylbenzene Derivatives Q6ZSR9, EPX, ZYX ALOX15 2030/4885ALDH1A1 1651/4885METAP2 4558/4885
US-20130231323-A1 ETHYNYLBENZENE DERIVATIVES Q6ZSR9, EPX, ZYX ALOX15 2030/4885ALDH1A1 1651/4885METAP2 4558/4885

“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.