SCHEMBL21776363

SCHEMBL21776363

COc1cnc(CNC(=O)C(C)C)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.47
▸ KDM4E B2RXH2 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ HSD17B10 Q99714 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ PTGES O14684 8/20 0.42
▸ RECQL P46063 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL20665413 0.82 ALDH1A1 (0.44) POLBKDM4EALDH1A1HSD17B10TSHR
SCHEMBL20665603 0.79 RECQL (0.46) POLBKDM4EALDH1A1RECQLLMNA
SCHEMBL24827544 0.75 KDM4E (0.41) POLBKDM4EALDH1A1TSHRRECQL
SCHEMBL22674300 0.74 EZH2 (0.50) KDM4EALDH1A1HSD17B10TSHRTP53
SCHEMBL23222270 0.74 KDM4E (0.51) POLBKDM4EALDH1A1RECQLTP53
SCHEMBL20665627 0.72 RECQL (0.49) POLBKDM4EALDH1A1RECQLLMNA
SCHEMBL10332862 0.72 RECQL (0.49) POLBKDM4EALDH1A1RECQLLMNA
SCHEMBL19002599 0.71 KDM4E (0.49) POLBKDM4EALDH1A1RECQLLMNA
SCHEMBL23507659 0.70 TSHR (0.36) KDM4EHSD17B10TSHRPTGES
SCHEMBL18997781 0.70 RECQL (0.46) POLBKDM4EALDH1A1HSD17B10RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-05-11 — — US disclosed
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-27 — — 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-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS POLB 3534/4885KDM4E 4215/4885ALDH1A1 3448/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS POLB 3534/4885KDM4E 4215/4885ALDH1A1 3448/4885

“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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