SCHEMBL3610969

SCHEMBL3610969

Nc1ccc(C=CC(=O)O)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 1/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.50
▸ TDO2 P48775 1/20 0.43
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ CA4 P22748 2/20 0.42
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ EIF2AK2 P19525 1/20 0.40
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ HDAC3 O15379 2/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HCAR2 Q8TDS4 2/20 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
SCHEMBL3610966 1.00 MIF (0.67) MIFNPSR1TDO2CA1CA2
SCHEMBL716630 0.81 MIF (0.71) MIFTDO2CA1CA2NFKB1
SCHEMBL1920415 0.81 MIF (0.71) MIFTDO2CA1CA2NFKB1
SCHEMBL29407005 0.81 MIF (0.71) MIFTDO2CA1CA2NFKB1
SCHEMBL716629 0.81 MIF (0.71) MIFTDO2CA1CA2NFKB1
SCHEMBL3027813 0.80 ALDH1A1 (0.49) MIFCA1CA2KDM4EHTT
SCHEMBL3027810 0.80 ALDH1A1 (0.49) MIFCA1CA2KDM4EHTT
Hydrochloric Acid SCHEMBL6822230 0.80 MIF (0.69) MIFTDO2CA1CA2NFKB1
SCHEMBL668852 0.80 MIF (1.00) MIFTDO2CA1CA2NFKB1
SCHEMBL668853 0.80 MIF (1.00) MIFTDO2CA1CA2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1916234-B1 CYCLOPROPANECARBOXYLIC ACID COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-11-12 — — EP disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 — — US disclosed
US-20100144806-A1 Cyclopropanecarboxylic Acid Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 — — US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 — — US disclosed
EP-1916234-A1 CYCLOPROPANECARBOXYLIC ACID COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-30 — — EP disclosed
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 — — EP 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 (2 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-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 MIF 2826/4885NPSR1 195/4885TDO2 2982/4885
US-20100144806-A1 Cyclopropanecarboxylic Acid Compound GPR65, GPR34, GPR68 MIF 1109/4885NPSR1 88/4885TDO2 4174/4885

“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.

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