SCHEMBL17381237

SCHEMBL17381237

C[C@](O)(CSc1ccc(F)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.38
NPC1 O15118 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 3/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3811027 1.00 ALDH1A1 (0.40) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL14559172 0.86 TDP1 (0.40) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL14517799 0.85 ALDH1A1 (0.41) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL6915551 0.84 FFAR1 (0.48) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL10062805 0.82 NPC1 (0.43) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL3810953 0.82 NPC1 (0.43) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL14543247 0.80 CA2 (0.38) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL3811748 0.76 KMT2A (0.37) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL10029122 0.76 ALDH1A1 (0.41) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL10029149 0.74 ALDH1A1 (0.43) ALDH1A1HTTLMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108069887-B Preparation method of (R) -bicalutamide intermediate 山西振东制药股份有限公司 2021-04-20 CN claimed
CN-108069887-B Preparation method of (R) -bicalutamide intermediate 山西振东制药股份有限公司 2021-04-20 CN disclosed
CN-108069887-B Preparation method of (R) -bicalutamide intermediate 山西振东制药股份有限公司 2021-04-20 CN disclosed
US-20170101384-A1 ANDROGEN RECEPTOR ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-04-13 US disclosed
US-20170101384-A1 ANDROGEN RECEPTOR ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-04-13 US disclosed
WO-2015196144-A2 ANDROGEN RECEPTOR ANTAGONISTS ENGLAND PAMELA M (US) 2015-12-23 WO 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-20170101384-A1 ANDROGEN RECEPTOR ANTAGONISTS AR, LHCGR, FSHR ALDH1A1 1171/4885HTT 4742/4885LMNA 4445/4885

“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.