SCHEMBL23525152

SCHEMBL23525152

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
HTR2A P28223 1/20 0.35
KMT2A Q03164 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.34
FABP5 Q01469 2/20 0.34
FABP7 O15540 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MAPT P10636 1/20 0.33
CACNA1G O43497 1/20 0.33

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
SCHEMBL1198343 0.86 CYP1A2 (0.37) CYP1A2TSHRHTR2AKMT2ACA1
SCHEMBL16933080 0.86 CYP1A2 (0.37) CYP1A2TSHRHTR2AKMT2ACA1
SCHEMBL23525180 0.83 CYP1A2 (0.35) CYP1A2TSHRHTR2AKMT2ACA1
SCHEMBL23525176 0.83 CYP1A2 (0.33) CYP1A2TSHRHTR2AKMT2ACA1
SCHEMBL23525416 0.82 CYP1A2 (0.35) CYP1A2TSHRHTR2AKMT2ACA1
SCHEMBL23525331 0.79 PPARG (0.34) CYP1A2TSHRHTR2AKMT2ACA1
SCHEMBL23525418 0.79 BCHE (0.34) CYP1A2TSHRPOLBPPARGPPARA
SCHEMBL23525354 0.79 TSHR (0.34) CYP1A2TSHRHTR2AKMT2ACA1
SCHEMBL23525396 0.79 CYP1A2 (0.34) CYP1A2TSHRHTR2AKMT2ACA1
SCHEMBL23525193 0.79 TSHR (0.34) CYP1A2TSHRHTR2AKMT2ACA1

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 1917/4885HTR2A 2919/4885

“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.