Sugi Predict

Sugi Predict / Compounds / SCHEMBL1930840

SCHEMBL1930840

SCHEMBL1930840

CCc1ccc([C@@H](C(=O)Nc2cc(CC(C)C(=O)O)ccc2F)[C@@H](C)C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.37
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ PPARA Q07869 4/20 0.35
▸ PPARD Q03181 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ MME P08473 1/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32

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
SCHEMBL1904595 1.00 GAA (0.37) GAAAKR1C3AKR1C2PPARAPPARD
SCHEMBL1905009 1.00 GAA (0.37) GAAAKR1C3AKR1C2PPARAPPARD
SCHEMBL1931913 0.92 FFAR4 (0.39) PPARAPPARDALDH1A1MEN1KMT2A
SCHEMBL1932134 0.92 FFAR4 (0.39) PPARAPPARDALDH1A1MEN1KMT2A
SCHEMBL1932604 0.92 FFAR4 (0.39) PPARAPPARDALDH1A1MEN1KMT2A
SCHEMBL1931116 0.92 FFAR4 (0.39) PPARAPPARDALDH1A1MEN1KMT2A
SCHEMBL1930567 0.89 EPHX2 (0.38) GAAALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL1931871 0.89 GAA (0.33) GAAAKR1C3AKR1C2PPARAALDH1A1
SCHEMBL1931896 0.89 L3MBTL1 (0.38) GAAAKR1C3AKR1C2PPARAPPARD
SCHEMBL1930517 0.89 L3MBTL1 (0.38) GAAAKR1C3AKR1C2PPARAPPARD

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 9 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-9018414-B2 Substituted 3-phenylpropionic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 — — US disclosed
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-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-22 — — 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
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 — — US disclosed
WO-2011051165-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-05 — — WO 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 GAA 260/4885AKR1C3 679/4885AKR1C2 1053/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH GAA 260/4885AKR1C3 679/4885AKR1C2 1053/4885

“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.