SCHEMBL2172867

SCHEMBL2172867

CC(C1CCCCC1)N1C(=O)SC(=Cc2ccc(F)cc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
KMT2A Q03164 1/20 0.44
PTPN11 Q06124 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
PTPN1 P18031 4/20 0.43
ALDH1A1 P00352 3/20 0.43
PIM1 P11309 2/20 0.43
HPGD P15428 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2171003 0.89 AKR1B1 (0.47) MCL1ALDH1A1HPGD
SCHEMBL2784557 0.89 AKR1B1 (0.47) MCL1ALDH1A1HPGD
SCHEMBL2786612 0.89 MCL1 (0.44) MCL1POLBPTPN1ALDH1A1HPGD
SCHEMBL2172007 0.89 MCL1 (0.44) MCL1POLBPTPN1ALDH1A1HPGD
SCHEMBL2173479 0.88 PTPN1 (0.47) MCL1MEN1KMT2APTPN1ALDH1A1
SCHEMBL2785911 0.88 PTPN1 (0.47) MCL1MEN1KMT2APTPN1ALDH1A1
SCHEMBL2173147 0.88 MCL1 (0.57) MCL1MEN1KMT2APTPN1ALDH1A1
SCHEMBL2784736 0.88 MCL1 (0.57) MCL1MEN1KMT2APTPN1ALDH1A1
SCHEMBL2785234 0.86 FAAH (0.53) MCL1MEN1KMT2AALDH1A1PIM1
SCHEMBL2171191 0.86 FAAH (0.53) MCL1MEN1KMT2AALDH1A1PIM1

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
EP-2254576-B1 ANDROGEN RECEPTOR-ABLATIVE AGENTS UNIV OHIO STATE RES FOUND (US) 2013-08-28 EP claimed
US-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 US claimed
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 US claimed
EP-2254576-B1 ANDROGEN RECEPTOR-ABLATIVE AGENTS UNIV OHIO STATE RES FOUND (US) 2013-08-28 EP disclosed
US-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 US disclosed
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 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-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS AR, ESRRB, KLK3 MCL1 4364/4885POLB 1970/4885MEN1 2122/4885

“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.