SCHEMBL910782

SCHEMBL910782

N=C(N)NC(CCCC(=O)O)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.40
ITGA2B P08514 9/20 0.40
ENPEP Q07075 2/20 0.39
PLA2G10 O15496 1/20 0.38
GSTK1 Q9Y2Q3 1/20 0.35
PLA2G2C Q5R387 1/20 0.35
GNPAT O15228 1/20 0.35
LMNA P02545 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
GABRR3 A8MPY1 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
HDAC3 O15379 1/20 0.34
GABBR2 O75899 1/20 0.34
CYP1A2 P05177 1/20 0.34
THRB P10828 1/20 0.34
GABRA1 P14867 1/20 0.34
TSHR P16473 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34

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
SCHEMBL17234296 0.83 GPR84 (0.47) ITGB3ITGA2BPLA2G10PLA2G2C
SCHEMBL28137859 0.81 ITGB3 (0.36) ITGB3ITGA2BLMNAGABRR1
SCHEMBL17234218 0.80 TAS1R3 (0.38) ITGB3ITGA2BPLA2G10PLA2G2CHDAC3
SCHEMBL17234216 0.80 TAS1R3 (0.38) ITGB3ITGA2BPLA2G10PLA2G2CHDAC3
SCHEMBL28908038 0.78 PLA2G2C (0.56) PLA2G10PLA2G2CSLC22A6TSHRKMT2A
SCHEMBL349164 0.78 ENPEP (0.46) ENPEPGSTK1LMNASLC22A6GABRR3
SCHEMBL28094810 0.78 ENPEP (0.46) ENPEPGSTK1LMNASLC22A6GABRR3
SCHEMBL17030111 0.76 GABRP (0.41) ITGB3ITGA2BENPEPPLA2G10GSTK1
SCHEMBL17234581 0.76 ITGB3 (0.38) ITGB3ITGA2BLMNAGABRR1
SCHEMBL17234565 0.76 ITGB3 (0.33) ITGB3ITGA2BLMNASLC22A6GABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same SHISEIDO COMPANY LTD. (JP) 2011-01-06 US disclosed
EP-2255780-A1 PARAKERATOSIS INHIBITOR, PORE SHRINKING AGENT OR AGENT FOR PREVENTING OR IMPROVING ROUGH SKIN, AND COMPOSITION FOR EXTERNAL USE ON THE SKIN CONTAINING THE SAME Shiseido Company, Ltd. (JP) 2010-12-01 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 (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-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same CUTA, GLRA3, ARGLU1 ITGB3 4172/4885ITGA2B 4698/4885ENPEP 1657/4885

“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.