SCHEMBL19628801

SCHEMBL19628801

CC[C@H](C)CNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
SYK P43405 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
CTSK P43235 8/20 0.44
CTSS P25774 4/20 0.44
PCSK9 Q8NBP7 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CAPN1 P07384 1/20 0.40
SERPINE1 P05121 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL17019827 1.00 MEN1 (0.46) MEN1GAAKMT2ASYKTDP1
SCHEMBL9220420 1.00 MEN1 (0.46) MEN1GAAKMT2ASYKTDP1
SCHEMBL1105702 0.90 PCSK9 (0.50) MEN1GAAKMT2ASYKTDP1
SCHEMBL21209086 0.85 MEN1 (0.47) MEN1GAAKMT2ASYKTDP1
SCHEMBL4270603 0.85 TDP1 (0.49) MEN1GAAKMT2ASYKTDP1
SCHEMBL4269209 0.85 TDP1 (0.49) MEN1GAAKMT2ASYKTDP1
SCHEMBL3163216 0.85 TDP1 (0.49) MEN1GAAKMT2ASYKTDP1
SCHEMBL19425911 0.84 MEN1 (0.44) MEN1GAAKMT2ASYKTDP1
SCHEMBL21004142 0.84 PCSK9 (0.44) MEN1GAAKMT2ASYKTDP1
SCHEMBL15220307 0.83 KMT2A (0.51) KMT2ACTSKCTSSCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116640117-A Triazole LPAR1 antagonists and uses thereof 武汉人福创新药物研发中心有限公司 2023-08-25 CN disclosed
WO-2023109878-A1 TRIAZASPIRO LPAR1 ANTAGONIST AND USE THEREOF 武汉人福创新药物研发中心有限公司 2023-06-22 WO disclosed
WO-2023109878-A1 TRIAZASPIRO LPAR1 ANTAGONIST AND USE THEREOF 武汉人福创新药物研发中心有限公司 2023-06-22 WO disclosed
EP-3277686-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2020-07-22 EP disclosed
US-20180186813-A1 CHIRAL DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES Turning Point Therapeutics, Inc. 2018-07-05 US disclosed
US-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof XIAMEN UNIVERSITY (CN) 2017-11-23 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 (2 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-20180186813-A1 CHIRAL DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, DAPK2 MEN1 2462/4885GAA 4220/4885KMT2A 1619/4885
US-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof FAAH, NAAA, FAAH2 MEN1 1147/4885GAA 165/4885KMT2A 1298/4885

“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.