SCHEMBL1017515

SCHEMBL1017515

CS(=O)(=O)c1ccc(C(=O)O)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 4/20 0.53
P4HA1 P13674 2/20 0.53
MIF P14174 1/20 0.52
HCAR3 P49019 10/20 0.50
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
GABRA4 P48169 1/20 0.50
GABRE P78334 1/20 0.50
GABRA6 Q16445 1/20 0.50
GABRG1 Q8N1C3 1/20 0.50
GABRG3 Q99928 1/20 0.50
GABRQ Q9UN88 1/20 0.50

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
SCHEMBL30612303 1.00 P4HTM (0.53) P4HTMP4HA1MIFHCAR3GABRP
SCHEMBL14480244 0.85 KCNJ1 (0.42) P4HTMP4HA1ALDH1A1HPGDMAPT
SCHEMBL1867891 0.83 NNMT (0.53)
SCHEMBL27723107 0.82 P4HA1 (0.61) P4HTMP4HA1MIFHCAR3GABRP
SCHEMBL4648030 0.81 CA12 (0.55) P4HTMP4HA1MIFHCAR3GABRP
SCHEMBL8226755 0.81 NAPRT (0.55) P4HTMP4HA1MIFHCAR3GABRP
SCHEMBL31720460 0.81 CA12 (0.55) P4HTMP4HA1MIFHCAR3GABRP
SCHEMBL14730771 0.80 HCAR3 (0.54) P4HTMP4HA1MIFHCAR3GABRP
SCHEMBL1021132 0.80 MAPK1 (0.59) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL1714422 0.80 P4HTM (0.48) P4HTMP4HA1MIFHCAR3GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158385-A1 NOVEL COMPOUNDS Cerevance, Inc. 2024-05-16 US disclosed
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 US disclosed
EP-4288433-A1 NOVEL COMPOUNDS Cerevance, Inc. (US) 2023-12-13 EP disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 US disclosed
WO-2022167819-A1 NOVEL COMPOUNDS Cerevance, Inc. (US) 2022-08-11 WO 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
EP-1789390-B1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH INC (US) 2011-11-09 EP 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
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
US-20050107384-A1 to inhibit proliferative conditions, such as cancer and psoriasis; detecting or identifying a HDAC in a biological sample comprising detecting or measuring the formation of a complex between a labelled compound as defined in claim (I) and a HDAC ORTHO-MCNEIL PHARMACEUTICAL INC. 2005-05-19 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 (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-20050107384-A1 to inhibit proliferative conditions, such as cancer and psoriasis; detecting or identifying a HDAC in a biological sample comprising detecting or measuring the formation of a complex between a labelled compound as defined in claim (I) and a HDAC HDAC1, HDAC11, HDAC5 P4HTM 2494/4885P4HA1 499/4885MIF 1772/4885
US-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO P4HTM 85/4885P4HA1 203/4885MIF 3443/4885
US-20240158385-A1 NOVEL COMPOUNDS KCNK3, KCNA4, KCNK13 P4HTM 1317/4885P4HA1 1407/4885MIF 4855/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO P4HTM 85/4885P4HA1 203/4885MIF 3443/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO P4HTM 106/4885P4HA1 239/4885MIF 3461/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO P4HTM 85/4885P4HA1 203/4885MIF 3443/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO P4HTM 85/4885P4HA1 203/4885MIF 3443/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO P4HTM 85/4885P4HA1 203/4885MIF 3443/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO P4HTM 85/4885P4HA1 203/4885MIF 3443/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO P4HTM 85/4885P4HA1 203/4885MIF 3443/4885
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO P4HTM 85/4885P4HA1 203/4885MIF 3443/4885

“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.