SCHEMBL13085569

SCHEMBL13085569

COC(=O)[C@@H](O)Cc1cccc(OC(=O)C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.43
ACHE P22303 4/20 0.40
ALDH1A1 P00352 1/20 0.39
FOLH1 Q04609 1/20 0.39
TAAR1 Q96RJ0 2/20 0.39
PRKCA P17252 1/20 0.39
PRKCD Q05655 1/20 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
SCHEMBL2867214 0.86 ELANE (0.45) ELANEACHEPRKCAPRKCD
SCHEMBL28020294 0.83 TAAR1 (0.57) ALDH1A1TAAR1
SCHEMBL4594693 0.83 TAAR1 (0.57) ALDH1A1TAAR1
SCHEMBL13085687 0.83 ACHE (0.40) ELANEACHEALDH1A1FOLH1TAAR1
SCHEMBL1035696 0.77 ELANE (0.53) ELANEACHE
SCHEMBL13903886 0.76 ALDH1A1 (0.48) ALDH1A1FOLH1
SCHEMBL2165267 0.76 ALDH1A1 (0.48) ALDH1A1FOLH1
SCHEMBL1033055 0.76 ELANE (0.51) ELANEACHE
SCHEMBL28020329 0.76 ALDH1A1 (0.48) ALDH1A1FOLH1
SCHEMBL27705535 0.76 NLRP3 (0.50) FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816405-B2 Calcium bis [(2S)-3-[3-[(2S)-3-(4-chloro-2-cyanophenoxy)-2-fluoropropoxy]phenyl ]-2-isopropoxypropionate] and intermediate thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-19 US disclosed
US-20090069591-A1 Calcium Bis [ (2S) -3- [3-[ (2S) -3- (4-Chloro-2-Cyanophenoxy) -2- Fluoropropoxy]Phenyl] -2- Isopropoxypropionate] and Intermediate Thereof EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-03-12 US disclosed
US-20070117866-A1 Calcium bis [ (2S) - 3- [3-[ (2S) -3- (4-chloro-2-cyanophenoxy) -2- fluoropropoxy]phenyl ]-2-isopropoxypropionate] and intermediate thereof EISAI CO., LTD. (JP) 2007-05-24 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 (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-20090069591-A1 Calcium Bis [ (2S) -3- [3-[ (2S) -3- (4-Chloro-2-Cyanophenoxy) -2- Fluoropropoxy]Phenyl] -2- Isopropoxypropionate] and Intermediate Thereof CA2, CACNA1A, CACNA1C ELANE 4769/4885ACHE 1044/4885ALDH1A1 1347/4885
US-20070117866-A1 Calcium bis [ (2S) - 3- [3-[ (2S) -3- (4-chloro-2-cyanophenoxy) -2- fluoropropoxy]phenyl ]-2-isopropoxypropionate] and intermediate thereof CA2, CACNA1A, CACNA1C ELANE 4769/4885ACHE 1044/4885ALDH1A1 1347/4885

“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.