SCHEMBL13601583

SCHEMBL13601583

Cc1cc(C(=O)O)c(F)cc1-c1ccsc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 1/20 0.47
GPR35 Q9HC97 1/20 0.45
DHODH Q02127 2/20 0.43
SCN9A Q15858 2/20 0.38
BTK Q06187 1/20 0.38
ERN1 O75460 1/20 0.38
P2RY14 Q15391 1/20 0.37
IDH2 P48735 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37

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
SCHEMBL13601631 0.80 LDHA (0.49) ACMSDDHODHSCN9AMEN1MAPT
SCHEMBL16875850 0.77 ACMSD (0.50) ACMSDGPR35DHODHBTKP2RY14
SCHEMBL16875851 0.77 ACMSD (0.50) ACMSDGPR35DHODHIDH2TUBB4A
SCHEMBL15025193 0.76 ACMSD (0.59) ACMSDGPR35MAPTHSD17B10CYP2A6
SCHEMBL13601644 0.75 DCLRE1B (0.47) ACMSDGPR35DHODHSCN9AMEN1
SCHEMBL4514500 0.74 P2RY14 (0.48) ACMSDGPR35P2RY14MEN1ALOX15
SCHEMBL13601632 0.73 FABP4 (0.43) SCN9AERN1P2RY14TUBB4ATUBB
SCHEMBL2429144 0.73 LDHA (0.49) ACMSDDHODHMEN1MAPTKMT2A
SCHEMBL23365598 0.73 AKR1C3 (0.47) DHODH
SCHEMBL1526618 0.73 ACMSD (0.51) ACMSDGPR35DHODHUSP2ALOX15

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 3604/4885GPR35 134/4885DHODH 2603/4885

“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.