SCHEMBL1932880

SCHEMBL1932880

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.41
APP P05067 4/20 0.39
AKR1C3 P42330 6/20 0.39
AKR1C2 P52895 6/20 0.39
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
FABP2 P12104 1/20 0.39
TSHR P16473 1/20 0.39
AKR1C4 P17516 1/20 0.39

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
SCHEMBL732665 0.83 AKR1C3 (0.55) APPAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL1931789 0.81 SHBG (0.44) MMEAPPAKR1C3AKR1C2PTGS1
SCHEMBL1930975 0.81 SHBG (0.44) MMEAPPAKR1C3AKR1C2PTGS1
SCHEMBL1932299 0.81 MME (0.38) MMEAPPAKR1C3AKR1C2PTGS1
SCHEMBL1931787 0.81 MME (0.38) MMEAPPAKR1C3AKR1C2PTGS1
SCHEMBL1931834 0.80 KDM4E (0.39) MMEPTGS1PTGS2MEN1KMT2A
SCHEMBL28605589 0.77 PPARG (0.36) APPAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL28382462 0.76 CES2 (0.38) APPAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL15709322 0.75 FFAR1 (0.46) MEN1KMT2ACYP2C9CYP2C19TSHR
SCHEMBL15709701 0.75 FFAR1 (0.46) MEN1KMT2ACYP2C9CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018414-B2 Substituted 3-phenylpropionic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-22 US disclosed
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 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 (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-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH MME 476/4885APP 1156/4885AKR1C3 679/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH MME 476/4885APP 1156/4885AKR1C3 679/4885

“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.