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Sugi Predict / Compounds / SCHEMBL1015753

SCHEMBL1015753

SCHEMBL1015753

CCS(=O)(=O)c1ccc(C#N)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ PSIP1 O75475 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ PTGDR2 Q9Y5Y4 3/20 0.37
▸ RORC P51449 2/20 0.37
▸ SLC22A12 Q96S37 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL15806065 0.86 PTGDR2 (0.45) GAAPSIP1TSHRALDH1A1HTT
SCHEMBL30863565 0.86 PTGDR2 (0.45) GAAPSIP1TSHRALDH1A1HTT
SCHEMBL13211334 0.81 EPAS1 (0.46) TSHRSLC22A12LMNATDP1
SCHEMBL18275116 0.81 USP30 (0.37) ALDH1A1HTT
SCHEMBL2517332 0.81 GAA (0.47) GAAPSIP1ALDH1A1RORCKDM4E
SCHEMBL23579708 0.80 CA2 (0.46) GAATSHRALDH1A1LMNA
SCHEMBL1941568 0.80 TSHR (0.41) TSHRALDH1A1SLC22A12LMNATDP1
SCHEMBL30033471 0.80 TSHR (0.41) TSHRALDH1A1SLC22A12LMNATDP1
SCHEMBL3246788 0.77 GABRA2 (0.45) GAAPSIP1PTGDR2RORCSLC22A12
SCHEMBL15794073 0.77 GAA (0.39) GAAPSIP1ALDH1A1PTGDR2RORC

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 — — US disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 — — US disclosed
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2021-03-11 — — US disclosed
US-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2020-06-18 — — US disclosed
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-09-13 — — US disclosed
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-02-01 — — US disclosed
US-9790183-B2 Pyridyl inhibitors of hedgehog signalling GENENTECH, INC. (US) 2017-10-17 — — US disclosed
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2017-01-19 — — US disclosed
CN-105829285-A Quinazolinone and isoquinolinone derivatives 中外制药株式会社 2016-08-03 — — CN disclosed
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2016-06-02 — — US disclosed
CN-102083822-A Pyridyl inhibitors of HEDGEHOG signalling GENENTECH INC 2011-06-01 — — CN disclosed
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING CURIS ROYALTY LLC 2011-04-21 — — US disclosed
US-7888364-B2 Pyridyl inhibitors of hedgehog signalling CURIS, INC. (US) 2011-02-15 — — US disclosed
EP-2271642-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2011-01-12 — — EP disclosed
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-11-12 — — US disclosed
WO-2009126863-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-10-15 — — WO disclosed
CN-101072755-A Pyridyl inhibitors of Hedgehog signaling GENENTECH INC (US) 2007-11-14 — — CN disclosed
EP-1789390-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2007-05-30 — — EP disclosed
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling CURIS ROYALTY LLC 2006-03-23 — — US disclosed
WO-2006028958-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2006-03-16 — — 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 (11 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-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4713/4885PSIP1 1736/4885TSHR 421/4885
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4713/4885PSIP1 1736/4885TSHR 421/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4713/4885PSIP1 1736/4885TSHR 421/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4693/4885PSIP1 1774/4885TSHR 453/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4713/4885PSIP1 1736/4885TSHR 421/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4713/4885PSIP1 1736/4885TSHR 421/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4713/4885PSIP1 1736/4885TSHR 421/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4713/4885PSIP1 1736/4885TSHR 421/4885
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4713/4885PSIP1 1736/4885TSHR 421/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO GAA 4713/4885PSIP1 1736/4885TSHR 421/4885
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4713/4885PSIP1 1736/4885TSHR 421/4885

“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.