SCHEMBL21325317

SCHEMBL21325317

CC(C)(C)Cc1cnc(CC(C)(C)C)s1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 4/20 0.32
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.31
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL21536653 0.88
SCHEMBL26351712 0.86 NUDT1 (0.34)
SCHEMBL15896625 0.85 SRC (0.34) RAB9ANPC1POLBCTDSP1
SCHEMBL21533859 0.82
SCHEMBL1911594 0.82 SLC6A3 (0.40) RAB9ANPC1ALDH1A1POLBLMNA
SCHEMBL13220759 0.80 LMNA (0.47) RAB9ANPC1ALDH1A1LMNAHSD17B10
SCHEMBL10246306 0.80 LMNA (0.31) RAB9APOLBLMNAATML3MBTL1
SCHEMBL1912687 0.80 L3MBTL1 (0.49) RAB9AALDH1A1POLBLMNAATM
SCHEMBL13010776 0.78 LMNA (0.30) RAB9APOLBLMNAATML3MBTL1
SCHEMBL11922170 0.78 SLC6A3 (0.45) RAB9APOLBLMNAATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303539-A1 IMMUNOREGULATORY COMPOUND AND ANTITUMOR APPLICATION THEREOF SHANGHAITECH UNIVERSITY (CN) 2023-09-28 US disclosed
US-20230303539-A1 IMMUNOREGULATORY COMPOUND AND ANTITUMOR APPLICATION THEREOF SHANGHAITECH UNIVERSITY (CN) 2023-09-28 US disclosed
US-11518746-B2 Nitrogen ring linked deoxyuridine triphosphatase inhibitors CV6 THERAPEUTICS (NI) LIMITED (GB) 2022-12-06 US disclosed
US-11247984-B2 Uracil containing compounds CV6 THERAPEUTICS (NI) LIMITED (GB) 2022-02-15 US disclosed
US-11174271-B2 6-membered uracil isosteres CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-11-16 US disclosed
US-11168059-B2 Amino sulfonyl compounds CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-11-09 US disclosed
US-20210061767-A1 NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-03-04 US disclosed
US-10829457-B2 Nitrogen ring linked deoxyuridine triphosphatase inhibitors CV6 THERAPEUTICS (NI) LIMITED (GB) 2020-11-10 US disclosed
US-20200039966-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2020-02-06 US disclosed
US-20190330158-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-10-31 US disclosed
US-20190330210-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-10-31 US disclosed
US-20190276410-A1 NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-09-12 US disclosed
US-20190270756-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-09-05 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 (12 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-20230303539-A1 IMMUNOREGULATORY COMPOUND AND ANTITUMOR APPLICATION THEREOF TNF, NFATC1, IL2 RAB9A 728/4885NPC1 725/4885ALDH1A1 702/4885
US-11174271-B2 6-membered uracil isosteres UNG, DUT, DPYD RAB9A 3151/4885NPC1 2484/4885ALDH1A1 972/4885
US-20210061767-A1 NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS DUT, DPYD, TYMP RAB9A 4012/4885NPC1 2639/4885ALDH1A1 1672/4885
US-20190330210-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS DUT, TYMP, DPYD RAB9A 3628/4885NPC1 1803/4885ALDH1A1 1207/4885
US-11168059-B2 Amino sulfonyl compounds DPYD, DNPEP, DUT RAB9A 3969/4885NPC1 2179/4885ALDH1A1 2924/4885
US-20190330158-A1 AMINO SULFONYL COMPOUNDS DPYD, DNPEP, DUT RAB9A 3969/4885NPC1 2179/4885ALDH1A1 2924/4885
US-10829457-B2 Nitrogen ring linked deoxyuridine triphosphatase inhibitors DUT, DPYD, TYMP RAB9A 4012/4885NPC1 2639/4885ALDH1A1 1672/4885
US-20200039966-A1 URACIL CONTAINING COMPOUNDS UNG, DPYD, DUT RAB9A 3416/4885NPC1 1841/4885ALDH1A1 970/4885
US-11518746-B2 Nitrogen ring linked deoxyuridine triphosphatase inhibitors DUT, DPYD, TYMP RAB9A 4012/4885NPC1 2639/4885ALDH1A1 1672/4885
US-11247984-B2 Uracil containing compounds UNG, DPYD, DUT RAB9A 3416/4885NPC1 1841/4885ALDH1A1 970/4885
US-20190276410-A1 NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS DUT, DPYD, TYMP RAB9A 4012/4885NPC1 2639/4885ALDH1A1 1672/4885
US-20190270756-A1 6-MEMBERED URACIL ISOSTERES UNG, DUT, DPYD RAB9A 3151/4885NPC1 2484/4885ALDH1A1 972/4885

“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.