SCHEMBL20260416

SCHEMBL20260416

CC(C)(C)OC(=O)CN1CCN(CC(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.42
▸ PLA2G10 O15496 2/20 0.38
▸ PLA2G5 P39877 2/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ SLC6A9 P48067 1/20 0.35
▸ CACNA1H O95180 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ WNT1 P04628 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33

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
SCHEMBL10063507 1.00 HSD17B10 (0.42) HSD17B10PLA2G10PLA2G5CHRM2CHRM4
SCHEMBL16749946 1.00 HSD17B10 (0.42) HSD17B10PLA2G10PLA2G5CHRM2CHRM4
SCHEMBL1041478 1.00 HSD17B10 (0.42) HSD17B10PLA2G10PLA2G5CHRM2CHRM4
SCHEMBL12004645 1.00 HSD17B10 (0.42) HSD17B10PLA2G10PLA2G5CHRM2CHRM4
SCHEMBL25728044 0.96 HSD17B10 (0.40) HSD17B10PLA2G10PLA2G5CHRM2CHRM4
SCHEMBL25728385 0.94 HSD17B10 (0.37) HSD17B10PLA2G10PLA2G5CHRM2CHRM4
SCHEMBL12022441 0.93 HSD17B10 (0.38) HSD17B10PLA2G10PLA2G5CHRM2CHRM4
SCHEMBL16749993 0.93 HSD17B10 (0.38) HSD17B10PLA2G10PLA2G5CHRM2CHRM4
SCHEMBL10016097 0.93 HSD17B10 (0.38) HSD17B10PLA2G10PLA2G5CHRM2CHRM4
SCHEMBL14585810 0.93 HSD17B10 (0.38) HSD17B10PLA2G10PLA2G5CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118619924-A PROTAC compound for targeted degradation of CDK8 and preparation method and application thereof 合肥大学 2024-09-10 — — CN claimed
CN-118619924-A PROTAC compound for targeted degradation of CDK8 and preparation method and application thereof 合肥大学 2024-09-10 — — CN disclosed
US-11541051-B2 Compositions and methods for treating CDK4/6-mediated cancer ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-01-03 — — US disclosed
US-20220054488-A1 COMPOSITIONS AND METHODS FOR TREATING CDK4/6-MEDIATED CANCER ICAHN SCHOOL MED MOUNT SINAI (US) 2022-02-24 — — US disclosed
CN-112279848-A Pan-JAKs inhibitor and application thereof 四川海思科制药有限公司 2021-01-29 — — CN disclosed
US-20190336503-A1 COMPOSITIONS AND METHODS FOR TREATING CDK4/6-MEDIATED CANCER ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2019-11-07 — — US disclosed
WO-2018106870-A1 COMPOSITIONS AND METHODS FOR TREATING CDK4/6-MEDIATED CANCER ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-06-14 — — 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 (3 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-20220054488-A1 COMPOSITIONS AND METHODS FOR TREATING CDK4/6-MEDIATED CANCER CDK4, CDK6, CDK2 HSD17B10 2660/4885PLA2G10 3361/4885PLA2G5 2898/4885
US-20190336503-A1 COMPOSITIONS AND METHODS FOR TREATING CDK4/6-MEDIATED CANCER CDK4, CDK6, CDK2 HSD17B10 2660/4885PLA2G10 3361/4885PLA2G5 2898/4885
US-11541051-B2 Compositions and methods for treating CDK4/6-mediated cancer CDK4, CDK6, CDK2 HSD17B10 2660/4885PLA2G10 3361/4885PLA2G5 2898/4885

“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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