SCHEMBL17519962

SCHEMBL17519962

COc1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 16/20 0.69
HDAC1 Q13547 3/20 0.62
ABCG2 Q9UNQ0 1/20 0.60
GABRP O00591 1/20 0.59
GABRD O14764 1/20 0.59
NR1I2 O75469 1/20 0.59
NR3C1 P04150 1/20 0.59
PGR P06401 1/20 0.59
KLK3 P07288 1/20 0.59
GABRA1 P14867 1/20 0.59
GABRB1 P18505 1/20 0.59
GABRG2 P18507 1/20 0.59
CNR1 P21554 1/20 0.59
TBXA2R P21731 1/20 0.59
GABRB3 P28472 1/20 0.59
GABRA5 P31644 1/20 0.59
GABRA3 P34903 1/20 0.59
GABRA2 P47869 1/20 0.59
GABRB2 P47870 1/20 0.59
GABRA4 P48169 1/20 0.59

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
SCHEMBL15506443 0.90 AR (0.66) ARHDAC1ABCG2GABRPGABRD
SCHEMBL19599863 0.90 AR (0.66) ARHDAC1ABCG2GABRPGABRD
SCHEMBL15506454 0.89 AR (0.64) ARHDAC1ABCG2GABRPGABRD
SCHEMBL30431117 0.87 AR (0.72) ARHDAC1ABCG2GABRPGABRD
SCHEMBL12050081 0.87 AR (0.72) ARHDAC1ABCG2GABRPGABRD
SCHEMBL15506455 0.87 AR (0.72) ARHDAC1ABCG2GABRPGABRD
SCHEMBL15506538 0.86 AR (0.61) ARHDAC1ABCG2GABRPGABRD
SCHEMBL7035063 0.86 AR (0.87) ARHDAC1ABCG2GABRPGABRD
SCHEMBL1461604 0.86 AR (0.59) ARHDAC1
SCHEMBL2633007 0.85 AR (0.79) ARHDAC1ABCG2GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660004-B1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS INC (US) 2023-02-22 EP disclosed
EP-3660004-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas Operations, Inc. (US) 2020-06-03 EP disclosed
WO-2019199816-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2019-10-17 WO disclosed
WO-2018144649-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME Arvinas, Inc. (US) 2018-08-09 WO disclosed
WO-2018071606-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. (US) 2018-04-19 WO disclosed
US-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2017-11-16 US disclosed
US-20160214972-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2016-07-28 US disclosed
WO-2016118666-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF THE ANDROGEN RECEPTOR Arvinas, Inc. (US) 2016-07-28 WO disclosed
US-20160045607-A1 ESTROGEN-RELATED RECEPTOR ALPHA BASED PROTAC COMPOUNDS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2016-02-18 US disclosed
EP-2985285-A1 ESTROGEN-RELATED RECEPTOR ALPHA BASED PROTAC COMPOUNDS AND ASSOCIATED METHODS OF USE Yale University (US) 2016-02-17 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 (3 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-20160214972-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ESRRA, MDM2 AR 1/4885HDAC1 459/4885ABCG2 759/4885
US-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, MDM2, ESRRA AR 1/4885HDAC1 500/4885ABCG2 688/4885
US-20160045607-A1 ESTROGEN-RELATED RECEPTOR ALPHA BASED PROTAC COMPOUNDS AND ASSOCIATED METHODS OF USE GPER1, PSMA3, ESR2 AR 88/4885HDAC1 1645/4885ABCG2 2126/4885

“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.