SCHEMBL2484715

SCHEMBL2484715

CC(=O)Oc1ccc([N+](=O)[O-])c(F)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 6/20 0.41
TSHR P16473 4/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 1/20 0.41
CFD P00746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ESR1 P03372 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
HMGB1 P09429 1/20 0.38
HPGD P15428 1/20 0.38
GGT1 P19440 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
BLM P54132 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL24319617 0.85 TDP1 (0.50) TDP1L3MBTL1ALDH1A1TSHRGAA
SCHEMBL27581135 0.79 GPR35 (0.42) ALDH1A1TSHRGAAKDM4ERAB9A
SCHEMBL31571840 0.79 ALDH1A1 (0.46) TDP1ALDH1A1TSHRGAAKDM4E
SCHEMBL30438328 0.76 TDP1 (0.60) TDP1L3MBTL1ALDH1A1TSHRRAB9A
SCHEMBL633629 0.76 TDP1 (0.46) TDP1L3MBTL1ALDH1A1TSHRSMN1; SMN2
SCHEMBL29154301 0.74 TDP1 (0.45) TDP1L3MBTL1ALDH1A1TSHRSMN1; SMN2
SCHEMBL3184922 0.74 PPARA (0.56) TDP1L3MBTL1PTGS2PPARGPPARA
SCHEMBL28077125 0.74 ALDH1A1 (0.54) TDP1L3MBTL1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4076795 0.74 L3MBTL1 (0.51) TDP1L3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL2532517 0.73 TDP1 (0.44) TDP1L3MBTL1ALDH1A1TSHRSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376428-A2 NEW INHIBITORS FOR TREATING DISEASES ASSOCIATED WITH AN EXCESS TRANSPORT OF HYALURONAN Universitätsklinikum Münster (DE) 2011-10-19 EP disclosed
US-20110245335-A1 NEW INHIBITORS FOR TREATING DISEASES ASSOCIATED WITH AN EXCESS TRANSPORT OF HYALURONAN UNIVERSITAETSKLINIKUM MUENSTER (DE) 2011-10-06 US disclosed
US-20110245335-A1 NEW INHIBITORS FOR TREATING DISEASES ASSOCIATED WITH AN EXCESS TRANSPORT OF HYALURONAN UNIVERSITAETSKLINIKUM MUENSTER (DE) 2011-10-06 US disclosed
WO-2010066909-A2 NEW INHIBITORS FOR TREATING DISEASES ASSOCIATED WITH AN EXCESS TRANSPORT OF HYALURONAN Universitätsklinikum Münster (DE) 2010-06-17 WO 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-20110245335-A1 NEW INHIBITORS FOR TREATING DISEASES ASSOCIATED WITH AN EXCESS TRANSPORT OF HYALURONAN SLC10A1, ABCB11, HEXD TDP1 2276/4885L3MBTL1 4466/4885ALDH1A1 562/4885

“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.