SCHEMBL17730541

SCHEMBL17730541

CC(C)(C)CC1CC(C(=O)O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ BTK Q06187 1/20 0.43
▸ HPGD P15428 1/20 0.40
▸ RECQL P46063 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ STS P08842 1/20 0.36
▸ PTPN2 P17706 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ PTPN6 P29350 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
SCHEMBL26430589 0.87 HSD17B10 (0.50) HSD17B10SMN1; SMN2BTKHPGDRECQL
SCHEMBL1439128 0.87 HSD17B10 (0.50) HSD17B10SMN1; SMN2BTKHPGDRECQL
SCHEMBL581911 0.87 LMNA (0.38) HSD17B10SMN1; SMN2BTKHPGD
SCHEMBL24047701 0.87 HSD17B10 (0.50) HSD17B10SMN1; SMN2BTKHPGDRECQL
SCHEMBL29601341 0.86 HSD17B10 (0.49) HSD17B10SMN1; SMN2BTKHPGDRECQL
SCHEMBL29785811 0.85 HSD17B10 (0.48) HSD17B10SMN1; SMN2BTKHPGDRECQL
SCHEMBL16247244 0.84 HSD17B10 (0.40) HSD17B10SMN1; SMN2HPGDRECQLCHRM2
SCHEMBL5706909 0.83 HSD17B10 (0.46) HSD17B10SMN1; SMN2BTKHPGDRECQL
SCHEMBL19642845 0.80 HSD17B10 (0.60) HSD17B10SMN1; SMN2BTKHPGDRECQL
SCHEMBL21049842 0.80 HSD17B10 (0.60) HSD17B10SMN1; SMN2BTKHPGDRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 — — EP disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 — — US disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 — — US disclosed
EP-3215505-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2017-09-13 — — EP disclosed
WO-2016071216-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-12 — — 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 (2 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-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 HSD17B10 3305/4885SMN1; SMN2 3486/4885BTK 2824/4885
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE HAMP, SERPINC1, PRSS8 HSD17B10 3305/4885SMN1; SMN2 3486/4885BTK 2824/4885

“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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