SCHEMBL17825537

SCHEMBL17825537

CCCCc1ccc(-c2ccc(-c3cnc(-c4ccc(CC(NC(=O)c5ccc(C(C)(C)C)s5)C(=O)N5CC(C(=O)O)C5)cc4)nc3)c(F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIFC1 Q9BW19 5/20 0.36
S1PR1 P21453 2/20 0.35
S1PR5 Q9H228 2/20 0.35
S1PR4 O95977 1/20 0.35
RARB P10826 3/20 0.34
MMP2 P08253 2/20 0.33
MMP3 P08254 2/20 0.33
PYGL P06737 1/20 0.33
MME P08473 2/20 0.33
DPP4 P27487 1/20 0.33
RARA P10276 1/20 0.33
RARG P13631 1/20 0.33
PRSS1 P07477 2/20 0.32
TMPRSS15 P98073 2/20 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
SCHEMBL17825503 1.00 KIFC1 (0.36) KIFC1S1PR1S1PR5S1PR4RARB
SCHEMBL17834425 0.97 KIFC1 (0.38) KIFC1S1PR1S1PR5S1PR4RARB
SCHEMBL22384412 0.94 KIFC1 (0.35) KIFC1S1PR1S1PR5S1PR4RARB
SCHEMBL17834633 0.94 F2 (0.35) KIFC1S1PR1S1PR5PYGLMME
SCHEMBL17834924 0.93 S1PR1 (0.36) KIFC1S1PR1S1PR5RARBRARA
SCHEMBL17995211 0.93 DPP4 (0.37) KIFC1S1PR1PYGLDPP4PRSS1
SCHEMBL22384167 0.93 KIFC1 (0.33) KIFC1S1PR1RARBMMP2MMP3
SCHEMBL17834395 0.93 KIFC1 (0.33) KIFC1S1PR1RARBMMP2MMP3
SCHEMBL17834419 0.93 S1PR1 (0.35) KIFC1S1PR1S1PR5PYGLDPP4
SCHEMBL17834639 0.93 S1PR1 (0.38) KIFC1S1PR1S1PR5S1PR4PYGL

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
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 EP disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 US disclosed
EP-3230276-A1 GLP-1 RECEPTOR MODULATORS Celgene International II Sarl (CH) 2017-10-18 EP disclosed
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 US disclosed
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 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 (3 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-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R KIFC1 4738/4885S1PR1 486/4885S1PR5 889/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R KIFC1 4738/4885S1PR1 486/4885S1PR5 889/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR KIFC1 4749/4885S1PR1 523/4885S1PR5 939/4885

“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.