SCHEMBL25910677

SCHEMBL25910677

Cc1ccc2[nH]cc(C[C@H](CO)NC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TACR1 P25103 2/20 0.52
HDAC3 O15379 6/20 0.48
HDAC4 P56524 6/20 0.48
HDAC1 Q13547 6/20 0.48
HDAC7 Q8WUI4 6/20 0.48
HDAC2 Q92769 6/20 0.48
HDAC10 Q969S8 6/20 0.48
HDAC11 Q96DB2 6/20 0.48
HDAC8 Q9BY41 6/20 0.48
HDAC6 Q9UBN7 6/20 0.48
HDAC9 Q9UKV0 6/20 0.48
HDAC5 Q9UQL6 6/20 0.48
CTSL P07711 2/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
ACE P12821 1/20 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
SCHEMBL25910633 1.00 MAPT (0.55) MAPTSMN1; SMN2TACR1HDAC3HDAC4
SCHEMBL25910667 0.90 MAPT (0.55) MAPTSMN1; SMN2TACR1HDAC3HDAC4
SCHEMBL25910627 0.90 MAPT (0.55) MAPTSMN1; SMN2TACR1HDAC3HDAC4
SCHEMBL30130055 0.89 NPSR1 (0.50) MAPTSMN1; SMN2TACR1HDAC3HDAC4
SCHEMBL23127160 0.88 MAPT (0.57) MAPTSMN1; SMN2TACR1HDAC3HDAC4
SCHEMBL29380695 0.88 MAPT (0.57) MAPTSMN1; SMN2TACR1HDAC3HDAC4
SCHEMBL25730436 0.88 MAPT (0.57) MAPTSMN1; SMN2TACR1HDAC3HDAC4
SCHEMBL21466805 0.87 HTR1A (0.52) TACR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL21466568 0.87 HTR1A (0.52) TACR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL24702206 0.87 HTR1A (0.52) TACR1HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713325-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2023-08-01 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 (1 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-11713325-B2 Antitumoral compounds TP53, TOP1, MCL1 MAPT 4519/4885SMN1; SMN2 2847/4885TACR1 2450/4885

“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.