SCHEMBL23525331

SCHEMBL23525331

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
RIPK1 Q13546 3/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MDM4 O15151 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.30
FABP7 O15540 1/20 0.30
FABP5 Q01469 1/20 0.30
HTR2A P28223 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
SCHEMBL23525416 0.89 CYP1A2 (0.35) PPARGPPARAKMT2AMEN1ATM
SCHEMBL23525180 0.80 CYP1A2 (0.35) PPARGPPARAKMT2ACYP1A2TSHR
SCHEMBL23525152 0.79 CYP1A2 (0.37) PPARGPPARAKMT2AMEN1CYP1A2
SCHEMBL23525418 0.76 BCHE (0.34) PPARGPPARACYP1A2TSHRPOLB
SCHEMBL23525396 0.75 CYP1A2 (0.34) KMT2AMEN1ATMCYP1A2TSHR
SCHEMBL23525193 0.75 TSHR (0.34) KMT2AMEN1ATMCYP1A2TSHR
SCHEMBL23525354 0.75 TSHR (0.34) KMT2AMEN1ATMCYP1A2TSHR
SCHEMBL23525176 0.74 CYP1A2 (0.33) KMT2AMEN1CYP1A2TSHRPOLB
SCHEMBL20971990 0.72 CYP1A2 (0.35) PPARGPPARAKMT2ACYP1A2TSHR
SCHEMBL20971992 0.72 CYP1A2 (0.35) PPARGPPARAKMT2ACYP1A2TSHR

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 PPARG 4855/4885PPARA 4787/4885KMT2A 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.