SCHEMBL20939066

SCHEMBL20939066

CC(C)NCC(=O)N1CCC(C(=O)NCCC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.46
▸ SIGMAR1 Q99720 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ DPP4 P27487 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ F2R P25116 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL16591606 0.84 DPP4 (0.43) HSD17B10SIGMAR1SMN1; SMN2ALDH1A1MEN1
SCHEMBL25961547 0.83 GAA (0.54) HSD17B10SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL23553271 0.82 HSD17B10 (0.45) HSD17B10SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL16591617 0.82 ITGB3 (0.49) HSD17B10SIGMAR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL20381501 0.81 HSD17B10 (0.45) HSD17B10SIGMAR1SMN1; SMN2ALDH1A1MEN1
SCHEMBL20939158 0.80 HSD17B10 (0.44) HSD17B10SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL23553767 0.79 KMT2A (0.60) HSD17B10SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL22332359 0.79 CYP3A4 (0.43) HSD17B10SIGMAR1SMN1; SMN2ALDH1A1MEN1
SCHEMBL20468901 0.78 DPP4 (0.43) HSD17B10SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL16591602 0.78 HSD17B10 (0.41) HSD17B10SIGMAR1SMN1; SMN2ALDH1A1MEN1

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
US-11718630-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-08 — — US disclosed
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-04 — — US disclosed
US-11008334-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-18 — — US disclosed
US-20200255446-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-08-13 — — US disclosed
US-20190119295-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-04-25 — — 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 (5 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-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS HSD17B10 3787/4885SIGMAR1 4373/4885SMN1; SMN2 3432/4885
US-11718630-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS HSD17B10 3787/4885SIGMAR1 4373/4885SMN1; SMN2 3432/4885
US-20200255446-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS HSD17B10 3787/4885SIGMAR1 4373/4885SMN1; SMN2 3432/4885
US-20190119295-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS HSD17B10 3787/4885SIGMAR1 4373/4885SMN1; SMN2 3432/4885
US-11008334-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS HSD17B10 3787/4885SIGMAR1 4373/4885SMN1; SMN2 3432/4885

“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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