Sugi Predict

Sugi Predict / Compounds / SCHEMBL6900140

SCHEMBL6900140

SCHEMBL6900140

C[C@H]([C@H](C(=O)Cl)c1ccc(C(C)(C)C(F)(F)F)cc1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 5/20 0.50
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32
▸ PTPN5 P54829 2/20 0.32
▸ CES2 O00748 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ FFAR2 O15552 2/20 0.31
▸ MLYCD O95822 1/20 0.31
▸ AKR1C3 P42330 2/20 0.30
▸ AKR1C2 P52895 2/20 0.30
▸ NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL6900808 0.88 NR1H4 (0.40) TRPV1AKR1C3AKR1C2NR1H4
SCHEMBL1907813 0.86 PDE2A (0.51) PDE2ACYP2D6CYP2C9HIF1APTPN5
SCHEMBL6903118 0.86 CES2 (0.44) PDE2ACES2CES1AKR1C3AKR1C2
SCHEMBL1905919 0.82 CYP2C9 (0.41) CYP2D6CYP2C9HIF1APTPN5FFAR2
SCHEMBL1907199 0.81 FFAR2 (0.47) FFAR2
SCHEMBL1905993 0.81 FFAR2 (0.47) FFAR2
SCHEMBL6902038 0.80 PDE2A (0.45) PDE2AMLYCD
SCHEMBL6900090 0.76 PDE2A (0.39) PDE2ACYP2D6CYP2C9AKR1C3
SCHEMBL14798538 0.73 AKR1C3 (0.47) CYP2D6CYP2C9HIF1ATRPV1AKR1C3
SCHEMBL1931772 0.73 AKR1C3 (0.47) CYP2D6CYP2C9HIF1ATRPV1AKR1C3

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 7 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-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 PDE2A 377/4885CYP2D6 920/4885CYP2C9 1147/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH PDE2A 377/4885CYP2D6 920/4885CYP2C9 1147/4885

“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.