SCHEMBL670048

SCHEMBL670048

CCCCCC(C)(C(=O)O)n1cnc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 4/20 0.48
APAF1 O14727 1/20 0.41
EGLN3 Q9H6Z9 1/20 0.41
FDPS P14324 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3796582 0.75 SMN1; SMN2 (0.44) ASAH1APAF1EGLN3FDPSNPC1
SCHEMBL10683773 0.74 APAF1 (0.44) ASAH1APAF1EGLN3FDPSNPC1
SCHEMBL19738704 0.73 TDP1 (0.44) FDPSLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL18714716 0.73 TDP1 (0.44) ASAH1APAF1FDPSLMNASMN1; SMN2
SCHEMBL14268957 0.70 ALDH1A1 (0.47) ASAH1APAF1EGLN3FDPSNPC1
SCHEMBL6174967 0.70 FDPS (0.46) ASAH1APAF1EGLN3FDPSNPC1
SCHEMBL2164037 0.70 EGLN3 (0.45) ASAH1APAF1EGLN3FDPSNPC1
SCHEMBL9518229 0.70 ASAH1 (0.52) ASAH1APAF1EGLN3NPC1RAB9A
SCHEMBL22393709 0.70 TDP1 (0.47) APAF1FDPSLMNASMN1; SMN2MAPT
SCHEMBL6175276 0.69 FDPS (0.46) APAF1EGLN3FDPSNPC1RAB9A

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
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB ASAH1 3919/4885APAF1 914/4885EGLN3 4692/4885

“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.