SCHEMBL16591602

SCHEMBL16591602

CC(C)(C)CCNC(=O)C1CCN(C(=O)CSC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.41
▸ SIGMAR1 Q99720 2/20 0.40
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ F2R P25116 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ LMNA P02545 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ ACKR3 P25106 1/20 0.36
▸ YAP1 P46937 1/20 0.35
▸ TEAD4 Q15561 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 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
SCHEMBL25959855 0.90 HSD17B10 (0.40) HSD17B10ITGB3ITGA2BF2RSMN1; SMN2
SCHEMBL20939157 0.86 PTGES (0.41) HSD17B10ITGB3ITGA2BF2RSMN1; SMN2
SCHEMBL22332274 0.85 HSD17B10 (0.61) HSD17B10ITGB3ITGA2BF2RSMN1; SMN2
SCHEMBL25959561 0.85 HSD17B10 (0.40) HSD17B10ITGB3ITGA2BF2RSMN1; SMN2
SCHEMBL16591617 0.83 ITGB3 (0.49) HSD17B10SIGMAR1ITGB3ITGA2BF2R
SCHEMBL22332359 0.80 CYP3A4 (0.43) HSD17B10SIGMAR1ITGB3ITGA2BF2R
SCHEMBL16591606 0.80 DPP4 (0.43) HSD17B10SIGMAR1ITGB3ITGA2BF2R
SCHEMBL16591615 0.79 HSD17B10 (0.41) HSD17B10SIGMAR1ITGB3ITGA2BF2R
SCHEMBL20939066 0.78 HSD17B10 (0.46) HSD17B10SIGMAR1ITGB3ITGA2BF2R
SCHEMBL22332286 0.78 TSHR (0.47) HSD17B10SIGMAR1ALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-02-29 — — US disclosed
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-02-29 — — US disclosed
US-11718630-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-08 — — US disclosed
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-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-04 — — US disclosed
US-20210230183-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-07-29 — — 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
US-10023588-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-17 — — US disclosed
US-10023588-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-17 — — US disclosed
US-20160368930-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-12-22 — — US disclosed
US-20150087628-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-03-26 — — 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 (10 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 4373/4885ITGB3 1773/4885
US-11718630-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS HSD17B10 3787/4885SIGMAR1 4373/4885ITGB3 1773/4885
US-20210230183-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS HSD17B10 3787/4885SIGMAR1 4373/4885ITGB3 1773/4885
US-20160368930-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS HSD17B10 3787/4885SIGMAR1 4373/4885ITGB3 1773/4885
US-10023588-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS HSD17B10 3787/4885SIGMAR1 4373/4885ITGB3 1773/4885
US-20200255446-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS HSD17B10 3787/4885SIGMAR1 4373/4885ITGB3 1773/4885
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS HSD17B10 3787/4885SIGMAR1 4373/4885ITGB3 1773/4885
US-20190119295-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS HSD17B10 3787/4885SIGMAR1 4373/4885ITGB3 1773/4885
US-20150087628-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS HSD17B10 3787/4885SIGMAR1 4373/4885ITGB3 1773/4885
US-11008334-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS HSD17B10 3787/4885SIGMAR1 4373/4885ITGB3 1773/4885

“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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