SCHEMBL695663

SCHEMBL695663

COc1ccccc1COCCOS(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
HTT P42858 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
POLB P06746 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
ABCB1 P08183 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2207149 0.85 IDO1 (0.56) IDO1HTTKDM4ECA12CA1
SCHEMBL3593144 0.82 CA12 (0.54) IDO1HTTKDM4ECA12CA1
Alcohol SCHEMBL7237276 0.81 IDO1 (0.51) IDO1HTTKDM4ECA12CA1
SCHEMBL17230506 0.80 IDO1 (0.58) IDO1HTTCA12CA1CA2
SCHEMBL13736903 0.79 IDO1 (0.44) IDO1KDM4ELMNAL3MBTL1ALDH1A1
Alcohol SCHEMBL11040577 0.78 CA12 (0.50) HTTKDM4ECA12CA1CA2
SCHEMBL26654 0.77 IDO1 (0.69) IDO1HTTCA12CA1CA2
SCHEMBL6275145 0.77 LMNA (0.53) KDM4ECA12CA1CA2CA9
SCHEMBL18095239 0.76 ALDH1A1 (0.47) HTTCA1CA2CA5ACA9
SCHEMBL18105807 0.76 ALDH1A1 (0.47) HTTCA1CA2CA5ACA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2012-05-10 US disclosed
EP-2421828-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF RENIN Cadila Healthcare Limited (IN) 2012-02-29 EP disclosed
WO-2010122580-A2 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2010-10-28 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-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN REN, ACE, AGTR1 IDO1 2537/4885HTT 3542/4885KDM4E 4001/4885

“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.