SCHEMBL16591615

SCHEMBL16591615

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ TSHR P16473 2/20 0.40
▸ SIGMAR1 Q99720 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 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
▸ CYP3A4 P08684 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ STS P08842 1/20 0.37
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PTPN6 P29350 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 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
SCHEMBL22332359 0.88 CYP3A4 (0.43) HSD17B10ALDH1A1TSHRSIGMAR1MEN1
SCHEMBL20381522 0.88 HSD17B10 (0.44) HSD17B10ALDH1A1TSHRMEN1KMT2A
SCHEMBL22332286 0.86 TSHR (0.47) HSD17B10ALDH1A1TSHRSIGMAR1MEN1
SCHEMBL20939096 0.85 HSD17B10 (0.61) HSD17B10ALDH1A1TSHRMEN1KMT2A
SCHEMBL20381501 0.85 HSD17B10 (0.45) HSD17B10ALDH1A1TSHRSIGMAR1MEN1
SCHEMBL16591617 0.83 ITGB3 (0.49) HSD17B10ALDH1A1SIGMAR1ITGB3ITGA2B
SCHEMBL20381502 0.81 KMT2A (0.48) HSD17B10ALDH1A1TSHRMEN1KMT2A
SCHEMBL16591606 0.80 DPP4 (0.43) HSD17B10ALDH1A1TSHRSIGMAR1MEN1
SCHEMBL16591602 0.79 HSD17B10 (0.41) HSD17B10ALDH1A1TSHRSIGMAR1MEN1
SCHEMBL22332232 0.78 KMT2A (0.55) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2

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 3787/4885ALDH1A1 2792/4885TSHR 4752/4885
US-11718630-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS HSD17B10 3787/4885ALDH1A1 2792/4885TSHR 4752/4885
US-20210230183-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS HSD17B10 3787/4885ALDH1A1 2792/4885TSHR 4752/4885
US-20160368930-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS HSD17B10 3787/4885ALDH1A1 2792/4885TSHR 4752/4885
US-10023588-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS HSD17B10 3787/4885ALDH1A1 2792/4885TSHR 4752/4885
US-20200255446-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS HSD17B10 3787/4885ALDH1A1 2792/4885TSHR 4752/4885
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS HSD17B10 3787/4885ALDH1A1 2792/4885TSHR 4752/4885
US-20190119295-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS HSD17B10 3787/4885ALDH1A1 2792/4885TSHR 4752/4885
US-20150087628-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS HSD17B10 3787/4885ALDH1A1 2792/4885TSHR 4752/4885
US-11008334-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS HSD17B10 3787/4885ALDH1A1 2792/4885TSHR 4752/4885

“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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