SCHEMBL23525396

SCHEMBL23525396

O=C(F)[C@H](CC(F)(F)F)N(CC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HTR2A P28223 1/20 0.32
MEN1 O00255 1/20 0.32
ATM Q13315 1/20 0.32
FABP7 O15540 1/20 0.32
FABP5 Q01469 1/20 0.32
CACNA1G O43497 1/20 0.31
PIN1 Q13526 1/20 0.31
MAPT P10636 1/20 0.31
ACLY P53396 2/20 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
SCHEMBL760834 0.89 HTR2A (0.34) CYP1A2TSHRKMT2ACA1CA2
SCHEMBL23525180 0.84 CYP1A2 (0.35) CYP1A2TSHRKMT2ACA1CA2
SCHEMBL23525176 0.81 CYP1A2 (0.33) CYP1A2TSHRKMT2ACA1CA2
SCHEMBL23525418 0.80 BCHE (0.34) CYP1A2TSHR
SCHEMBL23525354 0.80 TSHR (0.34) CYP1A2TSHRKMT2ACA1CA2
SCHEMBL23525193 0.80 TSHR (0.34) CYP1A2TSHRKMT2ACA1CA2
SCHEMBL23525152 0.79 CYP1A2 (0.37) CYP1A2TSHRKMT2ACA1CA2
SCHEMBL23525416 0.78 CYP1A2 (0.35) CYP1A2TSHRKMT2ACA1CA2
SCHEMBL22804049 0.76 CYP1A2 (0.41) CYP1A2TSHRPIN1MAPT
SCHEMBL23525331 0.75 PPARG (0.34) CYP1A2TSHRKMT2ACA1CA2

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-20210188906-A1 TUBULYSIN ANALOGUES AS ANTICANCER AGENTS AND PAYLOADS FOR ANTIBODY-DRUG CONJUGATES AND METHODS OF TREATMENT THEREWITH WILLIAM MARSH RICE UNIVERSITY (US) 2021-06-24 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-20210188906-A1 TUBULYSIN ANALOGUES AS ANTICANCER AGENTS AND PAYLOADS FOR ANTIBODY-DRUG CONJUGATES AND METHODS OF TREATMENT THEREWITH TEK, CD2BP2, SDCBP CYP1A2 4823/4885TSHR 1917/4885KMT2A 2974/4885

“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.