SCHEMBL13601647

SCHEMBL13601647

Cc1cc(C(=O)O)c(F)cc1-c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 1/20 0.50
MYC P01106 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NOTUM Q6P988 1/20 0.45
GPR35 Q9HC97 2/20 0.45
DHODH Q02127 6/20 0.43
MCL1 Q07820 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
ALB P02768 1/20 0.41
LDHA P00338 1/20 0.41

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
SCHEMBL13601650 0.87 DHODH (0.47) ACMSDMYCNPC1RAB9ANOTUM
SCHEMBL13601631 0.85 LDHA (0.49) ACMSDMYCNOTUMDHODHMCL1
SCHEMBL13601588 0.83 AKR1C3 (0.50) MYCNOTUMDHODHALDH1A1
SCHEMBL13601657 0.82 MYC (0.42) ACMSDMYCNOTUMDHODHALB
SCHEMBL15630645 0.80 DHODH (0.50) ACMSDMYCNPC1RAB9ANOTUM
SCHEMBL13601645 0.80 FABP4 (0.52) MYCDHODHALDH1A1
SCHEMBL269331 0.80 NPC1 (0.60) ACMSDMYCNPC1RAB9AGPR35
SCHEMBL13601629 0.78 DHODH (0.49) DHODHALDH1A1KDM4ELDHA
SCHEMBL13601658 0.78 TAS2R14 (0.42) MYCNOTUMDHODH
SCHEMBL2429144 0.78 LDHA (0.49) ACMSDMYCNOTUMDHODHMCL1

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-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 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-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 ACMSD 3604/4885MYC 3353/4885NPC1 691/4885

“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.