SCHEMBL20202072

SCHEMBL20202072

COc1ccc([C@H](C)N2CC([C@H](C)OS(=O)(=O)c3ccc(C)cc3)CC2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 5/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ MMP2 P08253 3/20 0.38
▸ MMP1 P03956 2/20 0.38
▸ MMP3 P08254 2/20 0.38
▸ MMP7 P09237 2/20 0.38
▸ MMP9 P14780 2/20 0.38
▸ MMP8 P22894 2/20 0.38
▸ GAA P10253 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ HSD11B1 P28845 1/20 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
SCHEMBL17102246 1.00 CHRM2 (0.38) CHRM2CHRM1MMP2MMP1MMP3
SCHEMBL18603267 1.00 CHRM2 (0.38) CHRM2CHRM1MMP2MMP1MMP3
SCHEMBL20981967 1.00 CHRM2 (0.38) CHRM2CHRM1MMP2MMP1MMP3
SCHEMBL16426901 0.85 SMN1; SMN2 (0.40) CHRM2CHRM1MMP2MMP1MMP3
SCHEMBL16426900 0.85 SMN1; SMN2 (0.40) CHRM2CHRM1MMP2MMP1MMP3
SCHEMBL19499084 0.85 SMN1; SMN2 (0.40) CHRM2CHRM1MMP2MMP1MMP3
SCHEMBL17121095 0.78 SMN1; SMN2 (0.45) CHRM2CHRM1GAASMN1; SMN2ALDH1A1
SCHEMBL18372655 0.77 BRD4 (0.41) MMP2GAALMNA
SCHEMBL19947558 0.76 SMN1; SMN2 (0.46) MMP2MMP1MMP3MMP7MMP9
SCHEMBL19965134 0.76 SMN1; SMN2 (0.46) MMP2MMP1MMP3MMP7MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148433-A1 New Pyrazolyl-substituted Heteroaryls and their use as Medicaments BOEHRINGER INGELHEIM INT (DE) 2018-05-31 — — US disclosed
US-20180148433-A1 New Pyrazolyl-substituted Heteroaryls and their use as Medicaments BOEHRINGER INGELHEIM INT (DE) 2018-05-31 — — US 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-20180148433-A1 New Pyrazolyl-substituted Heteroaryls and their use as Medicaments HRH4, HRH2, HRH3 CHRM2 58/4885CHRM1 68/4885MMP2 1723/4885

“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.

Send feedback