SCHEMBL565978

SCHEMBL565978

CC#Cc1cc(C#N)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CXCR2 P25025 2/20 0.38
MMP3 P08254 1/20 0.36
TTR P02766 1/20 0.36
ALB P02768 1/20 0.36
FFAR1 O14842 1/20 0.36
KDM1A O60341 2/20 0.36
MAOA P21397 2/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP2A6 P11509 1/20 0.35
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
AR P10275 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35

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
SCHEMBL2635720 0.81 CA12 (0.48) CA12CA2CA3CA6CA9
SCHEMBL3541145 0.78 HNF4A (0.49) CA12CA2CA9CXCR2FFAR1
SCHEMBL29188585 0.77 ALDH1A1 (0.41) FFAR1ALDH1A1CYP2A6IMPDH2IMPDH1
SCHEMBL23977435 0.76 CA12 (0.43) CA12CA2CA3CA6CA9
SCHEMBL2783389 0.75 ESR1 (0.46) CA12CA2CA9CA14ALDH1A1
SCHEMBL21535962 0.73 TRPV4 (0.41) FFAR1ALDH1A1CYP2A6IMPDH2IMPDH1
SCHEMBL20559693 0.73 TRPV4 (0.33) CA12CA2CA3CA6CA9
SCHEMBL19478937 0.73 TRPV4 (0.47) AR
SCHEMBL217250 0.72 CA12 (0.52) CA12CA2CA3CA6CA9
SCHEMBL29449995 0.72 CA12 (0.52) CA12CA2CA3CA6CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 CA12 4777/4885CA2 4166/4885CA3 4856/4885

“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.