SCHEMBL4604527

SCHEMBL4604527

CCC(=O)Nc1ccc(C#Cc2ccccc2C(F)(F)F)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.48
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
POLB P06746 2/20 0.39
DHODH Q02127 1/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PKM P14618 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
HNF4A P41235 1/20 0.38
GRIK1 P39086 1/20 0.38
LMNA P02545 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
SCHEMBL4604597 0.84 FFAR1 (0.51) FFAR1KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL4606051 0.84 HNF4A (0.54) AKR1C2KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL4604726 0.82 PTPN1 (0.53) FFAR1AKR1C3AKR1C2KDM4EALDH1A1
SCHEMBL14252063 0.80 FFAR1 (0.56) FFAR1AKR1C3AKR1C2ALDH1A1KMT2A
SCHEMBL24893397 0.79 MEN1 (0.41) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL4617942 0.77 FFAR1 (0.53) FFAR1AKR1C2KDM4EALDH1A1KMT2A
SCHEMBL5712901 0.76 AKR1C3 (0.56) AKR1C3AKR1C2KDM4EALDH1A1KMT2A
SCHEMBL4605316 0.75 AKR1C3 (0.46) AKR1C3AKR1C2KDM4EALDH1A1KMT2A
SCHEMBL4605322 0.75 NR3C2 (0.47) FFAR1AKR1C3AKR1C2KDM4EALDH1A1
SCHEMBL4619861 0.75 KDM4E (0.47) AKR1C3AKR1C2KDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720825-B1 ANTHRANILIC ACID DERIVATIVES, METHODS FOR THEIR PREPARATION AND USE AS DHODH INHIBITORS ACTIVE BIOTECH AB (SE) 2008-07-09 EP disclosed
US-7074831-B2 Compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2006-07-11 US disclosed
US-20050187297-A1 New compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2005-08-25 US 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-20050187297-A1 New compounds, methods for their preparation and use thereof MALT1, TPMT, FUCA1 FFAR1 769/4885AKR1C3 246/4885AKR1C2 363/4885

“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.