SCHEMBL13601631

SCHEMBL13601631

Cc1cc(C(=O)O)c(F)cc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.49
AKR1C2 P52895 2/20 0.47
AKR1C1 Q04828 2/20 0.47
DHODH Q02127 2/20 0.46
MYC P01106 1/20 0.46
PTPN1 P18031 1/20 0.45
ACLY P53396 1/20 0.44
ESR2 Q92731 1/20 0.44
ACMSD Q8TDX5 1/20 0.44
MCL1 Q07820 1/20 0.44
SCN9A Q15858 1/20 0.43
HNF4A P41235 1/20 0.43
PTGS1 P23219 3/20 0.43
MEN1 O00255 2/20 0.43
PTGS2 P35354 2/20 0.43
KMT2A Q03164 2/20 0.43
FABP2 P12104 1/20 0.43
TSHR P16473 1/20 0.43
AKR1C4 P17516 1/20 0.43
ADRA2B P18089 1/20 0.43

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
SCHEMBL2429144 0.93 LDHA (0.49) LDHAAKR1C2AKR1C1DHODHMYC
SCHEMBL13601644 0.87 DCLRE1B (0.47) LDHADHODHMYCACMSDMCL1
SCHEMBL13601647 0.85 ACMSD (0.50) LDHADHODHMYCACMSDMCL1
SCHEMBL28804822 0.84 LDHA (0.57) LDHAAKR1C2AKR1C1MYCPTPN1
SCHEMBL13601632 0.80 FABP4 (0.43) SCN9A
SCHEMBL13601583 0.80 ACMSD (0.47) DHODHACMSDSCN9AMEN1KMT2A
SCHEMBL12117487 0.79 IDO1 (0.53) LDHAAKR1C2AKR1C1MYCPTPN1
SCHEMBL23365598 0.79 AKR1C3 (0.47) LDHAAKR1C2DHODHAKR1C3ALDH1A1
SCHEMBL13601880 0.79 KDM4E (0.49) AKR1C2AKR1C1DHODHACLYMCL1
SCHEMBL13601650 0.79 DHODH (0.47) DHODHMYCACMSDNOTUMHPGD

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 LDHA 4127/4885AKR1C2 2495/4885AKR1C1 2041/4885

“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.