SCHEMBL2172299

SCHEMBL2172299

CC1(CN2C(=O)SC(=Cc3ccc(NC(=O)c4ccccc4)cc3)C2=O)CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.58
AURKA O14965 1/20 0.53
MTOR P42345 1/20 0.53
PRKAG1 P54619 1/20 0.50
PRKAA1 Q13131 1/20 0.50
PRKAB1 Q9Y478 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
PTPN7 P35236 1/20 0.49
ENPP2 Q13822 2/20 0.49
TDP1 Q9NUW8 2/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
AMY1A P0DUB6 1/20 0.46
PTPN1 P18031 1/20 0.46
DPP4 P27487 1/20 0.46
AKR1B1 P15121 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL2172295 1.00 KDR (0.58) KDRAURKAMTORPRKAG1PRKAA1
Cyclohexane SCHEMBL15204208 0.89 AURKA (0.59) KDRAURKAMTORPRKAG1PRKAA1
SCHEMBL2174406 0.87 AURKA (0.56) KDRAURKAMTORPRKAG1PRKAA1
SCHEMBL2174408 0.87 AURKA (0.56) KDRAURKAMTORPRKAG1PRKAA1
SCHEMBL2171893 0.85 AURKA (0.55) KDRAURKAMTORPRKAG1PRKAA1
SCHEMBL2171887 0.85 AURKA (0.55) KDRAURKAMTORPRKAG1PRKAA1
SCHEMBL12406355 0.85 AURKA (0.54) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2172778 0.84 PTPN1 (0.56) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2172773 0.84 PTPN1 (0.56) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2173232 0.84 AURKA (0.53) KDRAURKAMTORPRKAG1PRKAA1

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 KDR 1898/4885AURKA 1403/4885MTOR 3342/4885

“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.