SCHEMBL4871556

SCHEMBL4871556

CC(=O)Nc1ccc(C=C(C(=O)O)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.56
MAPT P10636 5/20 0.55
KDM4E B2RXH2 4/20 0.55
RAB9A P51151 4/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 1/20 0.53
NAPRT Q6XQN6 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA12 O43570 1/20 0.52
BRD4 O60885 1/20 0.52
NR1I2 O75469 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
MB P02144 1/20 0.52

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
SCHEMBL14198044 0.82 KDM4E (0.60) PTGS2MAPTKDM4ERAB9ANPSR1
SCHEMBL13843254 0.81 TP53 (0.55) MAPTKDM4ERAB9ANPSR1SMN1; SMN2
SCHEMBL8038684 0.80 NAMPT (0.60) PTGS2MAPTKDM4ERAB9ANPSR1
SCHEMBL2674745 0.79 TP53 (0.74) KDM4EL3MBTL1HTTALDH1A1TDP1
SCHEMBL28396692 0.79 KDM4E (0.57) PTGS2MAPTKDM4ERAB9ANPSR1
SCHEMBL5392566 0.78 KDM4E (0.78) KDM4ERAB9AKMT2AALDH1A1CYP3A4
SCHEMBL3132131 0.78 KDM4E (0.78) KDM4ERAB9AKMT2AALDH1A1CYP3A4
SCHEMBL3132127 0.78 KDM4E (0.78) KDM4ERAB9AKMT2AALDH1A1CYP3A4
SCHEMBL10944710 0.78 SMN1; SMN2 (0.64) MAPTKDM4ERAB9ASMN1; SMN2L3MBTL1
SCHEMBL7941711 0.78 SMN1; SMN2 (0.64) MAPTKDM4ERAB9ASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326407-B2 Amine, amide, sulphonamide and carbamate derivatives of benzalmalonic salts and photoprotective cosmetic compositions comprised thereof L'OREAL (FR) 2008-02-05 US disclosed
US-7326407-B2 Amine, amide, sulphonamide and carbamate derivatives of benzalmalonic salts and photoprotective cosmetic compositions comprised thereof L'OREAL (FR) 2008-02-05 US disclosed
US-7326407-B2 Amine, amide, sulphonamide and carbamate derivatives of benzalmalonic salts and photoprotective cosmetic compositions comprised thereof L'OREAL (FR) 2008-02-05 US disclosed
US-20060099159-A1 Novel amine, amide, sulphonamide and carbamate derivatives of benzalmalonic salts and photoprotective cosmetic compositions comprised thereof L'OREAL (FR) 2006-05-11 US disclosed
US-7008935-B2 Amine, amide, sulphonamide and carbamate derivatives of benzalmalonic salts and photoprotective cosmetic compositions comprised thereof L'OREAL (FR) 2006-03-07 US disclosed
US-20040198977-A1 Novel amine, amide, sulphonamide and carbamate derivatives of benzalmalonic salts and photoprotective cosmetic compositions comprised thereof SOCIETE L'OREAL S.A. (FR) 2004-10-07 US disclosed
EP-1454896-A1 Amine, amide, sulfonamide and carbamate derivatives of benzylidenemalonoc acid salts photoprotective cosmetic compositions containing them L'OREAL (FR) 2004-09-08 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-20060099159-A1 Novel amine, amide, sulphonamide and carbamate derivatives of benzalmalonic salts and photoprotective cosmetic compositions comprised thereof ACMSD, KDM6B, AADAC PTGS2 4209/4885MAPT 615/4885KDM4E 106/4885
US-20040198977-A1 Novel amine, amide, sulphonamide and carbamate derivatives of benzalmalonic salts and photoprotective cosmetic compositions comprised thereof ACMSD, KDM6B, AADAC PTGS2 4209/4885MAPT 615/4885KDM4E 106/4885

“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.