Sugi Predict

Sugi Predict / Compounds / SCHEMBL3690993

SCHEMBL3690993

SCHEMBL3690993

C[C@@H]([C@@H](C(=O)Nc1cccc(CCC(=O)O)c1)c1ccc(CN2Cc3c(F)cccc3C2=O)cc1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.36
▸ HSPH1 Q92598 1/20 0.36
▸ IDH1 O75874 2/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ GCGR P47871 1/20 0.34
▸ DHPS P49366 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ ITGB1 P05556 1/20 0.34
▸ ITGA4 P13612 1/20 0.34
▸ ACKR3 P25106 2/20 0.34
▸ THRB P10828 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP10 P09238 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33

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
SCHEMBL3705356 1.00 PTGES (0.36) PTGESHSPH1IDH1PARP1GCGR
SCHEMBL1177941 1.00 PTGES (0.36) PTGESHSPH1IDH1PARP1GCGR
SCHEMBL7602084 0.94 IDH1 (0.34) PTGESIDH1PARP1DHPSACKR3
SCHEMBL12872090 0.91 ACKR3 (0.32) IDH1PARP1DHPSACKR3THRB
SCHEMBL1178007 0.91 ACKR3 (0.32) IDH1PARP1DHPSACKR3THRB
SCHEMBL13660754 0.91 ACKR3 (0.32) IDH1PARP1DHPSACKR3THRB
SCHEMBL12872089 0.91 ACKR3 (0.32) IDH1PARP1DHPSACKR3THRB
SCHEMBL12872208 0.89 IDH1 (0.35) IDH1PARP1DHPSACKR3THRB
SCHEMBL12872206 0.89 IDH1 (0.35) IDH1PARP1DHPSACKR3THRB
Bicarbonate SCHEMBL3696349 0.89 ACKR3 (0.36) IDH1PARP1DHPSACKR3THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 — — US disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 — — US disclosed
EP-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 — — EP disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 — — US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 — — US disclosed
WO-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 — — 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 (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-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF OTC, PC, HCAR2 PTGES 224/4885HSPH1 2710/4885IDH1 815/4885

“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.