SCHEMBL29671128

SCHEMBL29671128

COC(=O)[C@@H](N)Cc1ccc(Br)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SLC22A12 Q96S37 2/20 0.42
PTGS2 P35354 1/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
RECQL P46063 1/20 0.40
TACR1 P25103 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.38
KIF11 P52732 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
MPO P05164 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL28572692 1.00 LMNA (0.43) LMNAL3MBTL1PKMRXFP1SLC22A12
SCHEMBL22035469 1.00 LMNA (0.43) LMNAL3MBTL1PKMRXFP1SLC22A12
Hydrochloric Acid SCHEMBL29671118 0.99 LMNA (0.42) LMNAL3MBTL1PKMRXFP1SLC22A12
SCHEMBL950509 0.84 IDO1 (0.46) LMNAPTGS2MAPTALDH1A1RECQL
SCHEMBL15807803 0.84 IDO1 (0.46) LMNAPTGS2MAPTALDH1A1RECQL
SCHEMBL2152877 0.83 POLB (0.43) PKMMAPTMEN1KMT2APOLB
SCHEMBL21979300 0.83 MAPT (0.54) LMNAL3MBTL1PKMSLC22A12MAPT
SCHEMBL21979303 0.83 MAPT (0.54) LMNAL3MBTL1PKMSLC22A12MAPT
SCHEMBL16271273 0.83 POLB (0.43) PKMMAPTMEN1KMT2APOLB
SCHEMBL30523454 0.83 POLB (0.43) PKMMAPTMEN1KMT2APOLB

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
EP-3873605-B1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES INC (US) 2024-10-23 EP disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 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-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 LMNA 2479/4885L3MBTL1 4194/4885PKM 3816/4885

“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.