SCHEMBL24420550

SCHEMBL24420550

CCS(=O)(=O)c1ccc(Cl)cc1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 7/20 0.43
CCR2 P41597 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPV4 Q9HBA0 2/20 0.39
CNR1 P21554 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL2810380 0.81 TRPV4 (0.53) CCR2LMNAHTTMEN1KMT2A
SCHEMBL13911296 0.77 DDR1 (0.48) DDR1CCR2LMNAHTTMEN1
SCHEMBL18620011 0.76 GAA (0.49) DDR1CCR2LMNAHTTMEN1
SCHEMBL18035295 0.75 DDR1 (0.55) DDR1
SCHEMBL15358107 0.74 DDR1 (0.46) DDR1CCR2LMNAHTTMEN1
SCHEMBL10179614 0.73 PSIP1 (0.45) LMNAGABRA1GABRB1CYP1A2CYP3A4
SCHEMBL14497920 0.73 GABRA1 (0.43) LMNAHTTMEN1KMT2AGABRA1
SCHEMBL13911395 0.73 ALDH1A1 (0.50) CCR2LMNAHTTMAPTHPGD
SCHEMBL21507979 0.72 CCR2 (0.51) CCR2LMNAKMT2ACNR1CNR2
SCHEMBL28829848 0.71 CCR2 (0.51) DDR1CCR2LMNAHTTMEN1

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-20220144818-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2022-05-12 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-20220144818-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS3BP, LGALS1 DDR1 1246/4885CCR2 539/4885LMNA 1544/4885

“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.