Sugi Predict

Sugi Predict / Compounds / SCHEMBL1905640

SCHEMBL1905640

SCHEMBL1905640

C[C@H]([C@H](C(=O)Nc1cc(CC(C(=O)OC(C)(C)C)C2CC2)ccc1Cl)c1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PDK1 Q15118 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PDK3 Q15120 1/20 0.35
▸ PDK4 Q16654 1/20 0.35
▸ HTRA1 Q92743 2/20 0.34
▸ MME P08473 1/20 0.34
▸ PANK3 Q9H999 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ IDO1 P14902 3/20 0.33
▸ TDO2 P48775 3/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ FFAR2 O15552 3/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ P2RX3 P56373 1/20 0.32
▸ MAPK1 P28482 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
SCHEMBL1906112 0.97 KMT2A (0.36) KMT2ATRPV1L3MBTL1MEN1PDK1
SCHEMBL1932029 0.89 KMT2A (0.41) KMT2ATRPV1L3MBTL1MEN1PDK1
SCHEMBL1931401 0.85 KMT2A (0.40) KMT2ATRPV1L3MBTL1MEN1PDK1
SCHEMBL1903340 0.83 L3MBTL1 (0.38) KMT2ATRPV1L3MBTL1MEN1PDK1
SCHEMBL23509595 0.81 KMT2A (0.38) KMT2ATRPV1L3MBTL1MEN1PDK1
SCHEMBL29743253 0.81 KMT2A (0.38) KMT2ATRPV1L3MBTL1MEN1PDK1
SCHEMBL28431700 0.81 KMT2A (0.38) KMT2ATRPV1L3MBTL1MEN1PDK1
SCHEMBL29572304 0.81 KMT2A (0.38) KMT2ATRPV1L3MBTL1MEN1PDK1
SCHEMBL13471794 0.81 KMT2A (0.38) KMT2ATRPV1L3MBTL1MEN1PDK1
SCHEMBL6901560 0.81 TRPV1 (0.38) KMT2ATRPV1L3MBTL1MEN1PDK1

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-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
EP-2493845-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2012-09-05 — — EP 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
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 KMT2A 3688/4885TRPV1 1672/4885L3MBTL1 2594/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH KMT2A 3688/4885TRPV1 1672/4885L3MBTL1 2594/4885

“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.