SCHEMBL19965134

SCHEMBL19965134

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ HSD11B1 P28845 3/20 0.45
▸ HSD17B2 P37059 1/20 0.44
▸ POLB P06746 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ MMP1 P03956 2/20 0.38
▸ MMP2 P08253 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
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ LMNA P02545 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
SCHEMBL17102255 1.00 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AHSD11B1HSD17B2POLB
SCHEMBL18646336 1.00 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AHSD11B1HSD17B2POLB
SCHEMBL18645260 1.00 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AHSD11B1HSD17B2POLB
SCHEMBL17102253 1.00 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AHSD11B1HSD17B2POLB
SCHEMBL16428060 1.00 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AHSD11B1HSD17B2POLB
SCHEMBL14659323 1.00 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AHSD11B1HSD17B2POLB
SCHEMBL19947558 1.00 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AHSD11B1HSD17B2POLB
SCHEMBL524313 1.00 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AHSD11B1HSD17B2POLB
SCHEMBL16428059 1.00 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AHSD11B1HSD17B2POLB
SCHEMBL14659325 1.00 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AHSD11B1HSD17B2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072744-A1 HETEROARYL SYK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-03-15 — — 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-20180072744-A1 HETEROARYL SYK INHIBITORS SYK, BTK, CD40 SMN1; SMN2 4707/4885KMT2A 733/4885HSD11B1 1047/4885

“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.

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