SCHEMBL13601629

SCHEMBL13601629

Cc1cc(C(=O)O)c(F)cc1-c1ccncc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.49
TDP1 Q9NUW8 2/20 0.45
SIRT3 Q9NTG7 1/20 0.45
SLC22A12 Q96S37 2/20 0.43
CDC7 O00311 1/20 0.42
GPBAR1 Q8TDU6 2/20 0.41
KDM4C Q9H3R0 6/20 0.40
CYP46A1 Q9Y6A2 1/20 0.40
KDM4E B2RXH2 3/20 0.39
KDM6B O15054 2/20 0.39
KDM4A O75164 2/20 0.39
KDM4D Q6B0I6 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ASPH Q12797 1/20 0.38
KDM8 Q8N371 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
SCHEMBL13601647 0.78 ACMSD (0.50) DHODHKDM4EALDH1A1LDHA
SCHEMBL23365598 0.76 AKR1C3 (0.47) DHODHSLC22A12CYP46A1ALDH1A1LDHA
SCHEMBL23365596 0.75 KDM4E (0.52) DHODHKDM4ELDHA
SCHEMBL13601631 0.73 LDHA (0.49) DHODHMEN1ALDH1A1MAPTKMT2A
SCHEMBL13601650 0.73 DHODH (0.47) DHODHKDM4EALDH1A1
SCHEMBL82604 0.71 KDM4C (0.59) TDP1SLC22A12KDM4CKDM4EKDM6B
SCHEMBL29578794 0.71 KDM4C (0.59) TDP1SLC22A12KDM4CKDM4EKDM6B
SCHEMBL258230 0.71 TDP1 (0.68) DHODHTDP1SIRT3KDM4CKDM4E
SCHEMBL29571308 0.71 TDP1 (0.68) DHODHTDP1SIRT3KDM4CKDM4E
SCHEMBL16345539 0.71 CYP3A4 (0.43) DHODHSLC22A12GPBAR1KDM4CKDM4E

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 DHODH 2603/4885TDP1 1668/4885SIRT3 4741/4885

“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.