SCHEMBL25091655

SCHEMBL25091655

Cc1cc(NC(=O)c2c(C)c(C(F)(F)C(=O)O)n(CCO[Si](C)(C)C(C)(C)C)c2C)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ TSHR P16473 5/20 0.34
▸ LMNA P02545 4/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 5/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ KCNJ6 P48051 2/20 0.33
▸ KCNJ5 P48544 2/20 0.33
▸ KCNJ3 P48549 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ SLC2A1 P11166 1/20 0.32

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
SCHEMBL21809945 0.91 TSHR (0.38) ALDH1A1CYP1A2CYP3A4CYP2C19POLB
SCHEMBL21809458 0.86 TSHR (0.38) ALDH1A1CYP1A2CYP3A4CYP2C19POLB
SCHEMBL21810119 0.79 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP3A4CYP2C19POLB
SCHEMBL21809668 0.76 TSHR (0.41) ALDH1A1CYP1A2CYP3A4CYP2C19POLB
SCHEMBL21146204 0.70 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2C19POLB
SCHEMBL21809932 0.70 TSHR (0.41) ALDH1A1TSHRLMNAGAAMAPT
SCHEMBL21146679 0.68 MAOB (0.40) ALDH1A1CYP1A2CYP3A4CYP2C19POLB
SCHEMBL25091656 0.67 TSHR (0.37) ALDH1A1CYP1A2CYP3A4CYP2C19POLB
SCHEMBL24946149 0.67 HTT (0.35) ALDH1A1CYP1A2CYP3A4CYP2C19POLB
SCHEMBL21810055 0.66 SLC10A1 (0.43) ALDH1A1TSHRLMNAGAAMAPT

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-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2023-03-02 — — 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-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885CYP1A2 2946/4885CYP3A4 2465/4885

“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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