SCHEMBL29679181

SCHEMBL29679181

COC(=O)[C@H](Cc1ccc2cnccc2c1)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.58
CTSB P07858 2/20 0.58
CTSS P25774 2/20 0.58
F2 P00734 1/20 0.52
ALDH1A1 P00352 3/20 0.52
ALOX15 P16050 1/20 0.52
KYNU Q16719 1/20 0.48
CYP3A4 P08684 3/20 0.48
TSHR P16473 3/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
CASP1 P29466 2/20 0.48
CTSK P43235 1/20 0.47
TACR1 P25103 1/20 0.47
ROCK2 O75116 1/20 0.47

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
SCHEMBL29679126 1.00 CTSL (0.58) CTSLCTSBCTSSF2ALDH1A1
SCHEMBL29678933 0.96 CTSL (0.58) CTSLCTSBCTSSF2ALDH1A1
SCHEMBL29679334 0.92 CTSL (0.58) CTSLCTSBCTSSF2CASP1
SCHEMBL24502886 0.83 CTSS (0.53) CTSLCTSBCTSSCTSKROCK2
SCHEMBL31584094 0.83 CTSS (0.53) CTSLCTSBCTSSCTSKROCK2
SCHEMBL29679086 0.81 CTSL (0.56) CTSLCTSBCTSSF2ALDH1A1
SCHEMBL22919853 0.81 CTSL (0.56) CTSLCTSBCTSSF2ALDH1A1
SCHEMBL7151822 0.80 ALDH1A1 (0.74) CTSLCTSBCTSSALDH1A1ALOX15
SCHEMBL329686 0.80 ALDH1A1 (0.74) CTSLCTSBCTSSALDH1A1ALOX15
Hydrochloric Acid SCHEMBL7928050 0.79 ALDH1A1 (0.72) CTSLCTSBCTSSALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230072421-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER BAYER AS (NO) 2023-03-09 US disclosed
EP-4003959-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER Bayer AS (NO) 2022-06-01 EP 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-20230072421-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER KLK3, AR, SHBG CTSL 1672/4885CTSB 1487/4885CTSS 812/4885

“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.