SCHEMBL24420896

SCHEMBL24420896

CC(S)c1ccc(Cl)c(F)c1Cl

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ PNMT P11086 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ PDE2A O00408 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ CFD P00746 1/20 0.30

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
SCHEMBL12534165 0.83 LMNA (0.33) LMNACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL28935960 0.76 CYP1A2 (0.31) CYP1A2
SCHEMBL18780525 0.75 HTR2A (0.33) LMNATP53HTT
SCHEMBL24989692 0.75 CFD (0.47) LMNACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL18310663 0.71 EIF4A3 (0.35) LMNACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL20072503 0.71 LMNA (0.39) LMNATP53HTTPDE2A
SCHEMBL21239903 0.71 LMNA (0.39) LMNATP53HTTPDE2A
SCHEMBL24039916 0.71 CYP1A2 (0.39) LMNACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL21567158 0.70 CYP3A4 (0.38) LMNACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL4458219 0.69 CYP3A4 (0.41) LMNACYP1A2CYP3A4PNMTTP53

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 LMNA 1544/4885CYP1A2 4531/4885CYP3A4 4118/4885

“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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