SCHEMBL4332258

SCHEMBL4332258

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
MMP8 P22894 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARG P37231 3/20 0.38
PPARA Q07869 2/20 0.38
NLRP3 Q96P20 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL4332255 1.00 GRIA2 (0.42) GRIA2CA12CA1CA2CA7
SCHEMBL13085584 0.87 NLRP3 (0.46) GRIA2HSD17B1HSD17B2NLRP3
SCHEMBL4329899 0.86 MMP8 (0.39) L3MBTL1LMNAMMP8TSHRMAPK1
SCHEMBL5479352 0.86 PPARG (0.47) CA12CA1CA2CA7CA9
SCHEMBL5989805 0.86 NLRP3 (0.42) GRIA2CA12CA1CA2CA7
SCHEMBL4334124 0.86 PPARG (0.47) CA12CA1CA2CA7CA9
SCHEMBL5479355 0.86 PPARG (0.47) CA12CA1CA2CA7CA9
SCHEMBL4332256 0.85 MMP8 (0.38) L3MBTL1LMNAMMP8TSHRMAPK1
SCHEMBL4334347 0.85 SMN1; SMN2 (0.40) L3MBTL1LMNAMMP8TSHRMAPK1
SCHEMBL13819361 0.85 CYP4F2 (0.41) L3MBTL1LMNAMMP8TSHRMAPK1

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 11 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-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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 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-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
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
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 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 (3 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 GRIA2 834/4885CA12 1748/4885CA1 954/4885
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 GRIA2 1598/4885CA12 283/4885CA1 36/4885
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 GRIA2 1598/4885CA12 283/4885CA1 36/4885

“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.