SCHEMBL23979234

SCHEMBL23979234

CC(C)C(=O)Cc1ccc(S(F)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
EGFR P00533 4/20 0.40
ERBB2 P04626 4/20 0.40
TSHR P16473 2/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CA2 P00918 2/20 0.39
CYP1A2 P05177 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AKR1B1 P15121 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ABCC4 O15439 1/20 0.37

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
SCHEMBL331007 0.80 TSHR (0.57) CES2CES1TSHRFNTAFNTB
SCHEMBL23979232 0.79 CA2 (0.34) EGFRERBB2CA2CYP1A2MAPT
SCHEMBL13197240 0.78 POLB (0.45) CES2CES1TSHRCA2CYP1A2
SCHEMBL2625190 0.78 LMNA (0.62) TSHRCYP2D6CYP1A2MEN1KMT2A
SCHEMBL15682633 0.76 ENPP2 (0.45)
SCHEMBL10137814 0.75 CA2 (0.56) TSHRCA2MEN1KMT2AAKR1B1
SCHEMBL23979233 0.74 CYP1A2 (0.42) CES2CES1TSHRFNTAFNTB
Phosphonic Acid SCHEMBL11615478 0.74 TSHR (0.50) CES2CES1TSHRFNTAFNTB
SCHEMBL14462168 0.73 MAPT (0.48) TSHRCYP2D6CYP1A2MEN1KMT2A
SCHEMBL8234154 0.73 HTT (0.54) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018110-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN ALPHA-9 ONCOLOGY INC. (CA) 2024-01-18 US disclosed
US-20230114807-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2023-04-13 US disclosed
US-20220233726-A1 NOVEL RADIOLABELLED COMPOUNDS FOR DIAGNOSIS OR TREATMENT OF PROSTATE-SPECIFIC MEMBRANE ANTIGEN-EXPRESSING CANCER THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-07-28 US disclosed
US-20210338851-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2021-11-04 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 (4 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-20210338851-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN FOLH1, KLK3, PSMA3 CES2 4413/4885CES1 3793/4885EGFR 291/4885
US-20240018110-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN KLK3, FOLH1, TMEM14C CES2 3454/4885CES1 2323/4885EGFR 563/4885
US-20230114807-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN FOLH1, KLK3, PSMA3 CES2 4413/4885CES1 3793/4885EGFR 291/4885
US-20220233726-A1 NOVEL RADIOLABELLED COMPOUNDS FOR DIAGNOSIS OR TREATMENT OF PROSTATE-SPECIFIC MEMBRANE ANTIGEN-EXPRESSING CANCER KLK3, FOLH1, HRH3 CES2 3390/4885CES1 2006/4885EGFR 509/4885

“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.