SCHEMBL1017799

SCHEMBL1017799

Cc1c(SCC(C)O)ccc(C(=O)O)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
POLB P06746 2/20 0.33
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
PTPRG P23470 2/20 0.32
PTPRC P08575 1/20 0.32
NPC1 O15118 2/20 0.31
HSP90AA1 P07900 1/20 0.31
MYC P01106 2/20 0.31
NR4A1 P22736 1/20 0.31
GRM1 Q13255 1/20 0.31
CYP1A2 P05177 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CASP1 P29466 1/20 0.31
HTT P42858 1/20 0.31
XDH P47989 1/20 0.30
MEN1 O00255 2/20 0.30

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
SCHEMBL1251402 1.00 TSHR (0.34) TSHRPOLBRAB9AALDH1A1KDM4E
SCHEMBL1254273 1.00 TSHR (0.34) TSHRPOLBRAB9AALDH1A1KDM4E
SCHEMBL1020850 0.83 KDM4E (0.39) TSHRPOLBRAB9AKDM4EPTPRG
SCHEMBL1020851 0.83 KDM4E (0.39) TSHRPOLBRAB9AKDM4EPTPRG
SCHEMBL1253721 0.83 KDM4E (0.39) TSHRPOLBRAB9AKDM4EPTPRG
SCHEMBL29639621 0.74 CA2 (0.35) TSHRPOLBRAB9AALDH1A1PTPRG
SCHEMBL1018396 0.73 ATM (0.39) TSHRALDH1A1KDM4EAKR1C2AKR1C1
SCHEMBL1015540 0.72 TSHR (0.46) TSHRRAB9AALDH1A1KDM4EAKR1C2
SCHEMBL1019254 0.72 TSHR (0.47) TSHRALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL1018327 0.72 TSHR (0.46) TSHRRAB9AALDH1A1KDM4EAKR1C2

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 23 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
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2016-06-02 US disclosed
US-9321761-B2 Pyridyl inhibitors of hedgehog signalling CURIS, INC. (US) 2016-04-26 US disclosed
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GUNZNER JANET L (US) 2012-04-19 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 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 TSHR 421/4885POLB 4447/4885RAB9A 761/4885
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 421/4885POLB 4447/4885RAB9A 761/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 421/4885POLB 4447/4885RAB9A 761/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 453/4885POLB 4423/4885RAB9A 768/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 421/4885POLB 4447/4885RAB9A 761/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 421/4885POLB 4447/4885RAB9A 761/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 421/4885POLB 4447/4885RAB9A 761/4885
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 421/4885POLB 4447/4885RAB9A 761/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 421/4885POLB 4447/4885RAB9A 761/4885
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 421/4885POLB 4447/4885RAB9A 761/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO TSHR 421/4885POLB 4447/4885RAB9A 761/4885
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 421/4885POLB 4447/4885RAB9A 761/4885

“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.