SCHEMBL732665

SCHEMBL732665

CC(C(=O)O)c1ccc(F)c(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 10/20 0.55
AKR1C2 P52895 10/20 0.55
PTGS2 P35354 4/20 0.55
PTGS1 P23219 3/20 0.55
CYP2C19 P33261 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP2C9 P11712 2/20 0.55
PSEN1 P49768 2/20 0.55
PSEN2 P49810 2/20 0.55
APH1B Q8WW43 2/20 0.55
NCSTN Q92542 2/20 0.55
APH1A Q96BI3 2/20 0.55
PSENEN Q9NZ42 2/20 0.55
FABP2 P12104 1/20 0.55
TSHR P16473 1/20 0.55
AKR1C4 P17516 1/20 0.55
ADRA2B P18089 1/20 0.55
CHRM3 P20309 1/20 0.55
HTR2C P28335 1/20 0.55

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
SCHEMBL112764 0.86 AKR1C3 (0.59) AKR1C3AKR1C2PTGS2PTGS1CYP2C19
SCHEMBL1002973 0.83 AKR1C3 (0.50) AKR1C3AKR1C2PTGS2PTGS1CYP2C19
SCHEMBL1533399 0.83 AKR1C3 (0.67) AKR1C3AKR1C2PTGS2PTGS1CYP2C19
SCHEMBL1932880 0.83 MME (0.41) AKR1C3AKR1C2PTGS2PTGS1CYP2C19
SCHEMBL14798202 0.81 MT-CO2 (0.47) PTGS2PTGS1CYP2C19MAPTHPGD
Acetic Acid SCHEMBL21808210 0.81 PTGS1 (0.47) AKR1C3AKR1C2PTGS2PTGS1CYP2C19
SCHEMBL28605589 0.80 PPARG (0.36) AKR1C3AKR1C2PTGS2PTGS1CYP2C19
SCHEMBL14465122 0.80 AKR1C3 (0.68) AKR1C3AKR1C2PTGS2PTGS1CYP2C19
SCHEMBL31240211 0.80 AKR1C3 (0.68) AKR1C3AKR1C2PTGS2PTGS1CYP2C19
SCHEMBL287468 0.80 ALDH1A1 (0.63) AKR1C3AKR1C2PTGS2PTGS1CYP2C19

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-8138335-B2 Carboxylic acid compounds and medicinal compositions containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD (JP) 2012-03-20 US disclosed
US-20100029631-A1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2010-02-04 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-20100029631-A1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT GPR17, CYSLTR1, KIT AKR1C3 774/4885AKR1C2 1407/4885PTGS2 68/4885

“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.