SCHEMBL2279518

SCHEMBL2279518

COC(=O)C(=O)Nc1cccc(CO)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.54
PDK2 Q15119 1/20 0.54
PDK3 Q15120 1/20 0.54
PDK4 Q16654 1/20 0.54
KDM1A O60341 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
USP2 O75604 1/20 0.44
GPR35 Q9HC97 1/20 0.44
NHERF1 O14745 1/20 0.43
CNR2 P34972 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43

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
SCHEMBL17150491 0.83 PDK1 (0.56) PDK1PDK2PDK3PDK4KDM1A
SCHEMBL24079163 0.82 GPR35 (0.44) SMN1; SMN2RAB9AMAPTLMNAALDH1A1
SCHEMBL2452067 0.81 TDP1 (0.64) PDK1PDK2PDK3PDK4KDM1A
SCHEMBL1548607 0.80 ALDH1A1 (0.59) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL2282561 0.79 SMN1; SMN2 (0.61) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL14052664 0.79 PDK1 (0.58) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL9867574 0.78 ALDH1A1 (0.62) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL8277628 0.78 HSD17B10 (0.62) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL1028484 0.78 PDK1 (0.56) PDK1PDK2PDK3PDK4KDM1A
SCHEMBL2971345 0.77 MAPT (0.52) PDK1PDK2PDK3PDK4SMN1; SMN2

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-7989478-B2 decreases expression of a Type I collage gene in a tissue to induce a reduction in accumulation of collagen and thereby improves tissue fibrosis SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-02 US disclosed
US-7691883-B2 Cinnamoyl compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-06 US disclosed
US-20070265228-A1 Cinnamoyl compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-15 US disclosed
US-20060211680-A1 decreases expression of a Type I collage gene in a tissue to induce a reduction in accumulation of collagen and thereby improves tissue fibrosis SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-09-21 US disclosed
EP-1671961-A1 CINNAMOYL COMPOUND AND USE OF THE SAME Sumitomo Chemical Company, Limited (JP) 2006-06-21 EP disclosed
EP-1671948-A1 CINNAMOYL COMPOUND AND USE OF THE SAME Sumitomo Chemical Company, Limited (JP) 2006-06-21 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-20060211680-A1 decreases expression of a Type I collage gene in a tissue to induce a reduction in accumulation of collagen and thereby improves tissue fibrosis COL2A1, COL1A1, COL14A1 PDK1 4624/4885PDK2 4295/4885PDK3 4472/4885
US-20070265228-A1 Cinnamoyl compound and use of the same NPC1, CES2, CYP51A1 PDK1 2360/4885PDK2 2067/4885PDK3 2091/4885

“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.