SCHEMBL21776338

SCHEMBL21776338

CC(C)CC(=O)NCCc1cccc(O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.66
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
LMNA P02545 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
OPRD1 P41143 3/20 0.48
OPRK1 P41145 3/20 0.48
OPRM1 P35372 2/20 0.48
NAMPT P43490 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PTGER1 P34995 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46

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
SCHEMBL21901089 0.85 HPGD (0.56) SPRKMT2AALDH1A1HPGDLMNA
SCHEMBL19002540 0.83 SPR (0.71) SPRCA1CA2CA7CA9
SCHEMBL6045130 0.83 KMT2A (0.79) KMT2AALDH1A1HPGDCA2CA9
SCHEMBL2608914 0.82 SPR (0.61) SPRKMT2ACA1CA2CA7
SCHEMBL21776336 0.82 MTNR1A (0.62) ALDH1A1CA1CA2CA7CA9
SCHEMBL10063265 0.81 KDM4E (0.62) KMT2AALDH1A1HPGDNAMPTSMN1; SMN2
SCHEMBL18672199 0.81 MAPT (0.65) KMT2AALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL9215928 0.80 SPR (0.67) SPRKMT2AALDH1A1HPGDCA1
SCHEMBL5632567 0.80 SPR (0.66) SPRALDH1A1HPGDCA1CA2
SCHEMBL19002545 0.79 SPR (0.66) SPRKMT2AALDH1A1HPGDCA1

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 SPR 3637/4885KMT2A 4024/4885ALDH1A1 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 SPR 3637/4885KMT2A 4024/4885ALDH1A1 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.