SCHEMBL1020558

SCHEMBL1020558

CCS(=O)(=O)Nc1ccc(C(=O)OC)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 1.00
LMNA P02545 3/20 0.63
MAPT P10636 4/20 0.60
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 1/20 0.60
RECQL P46063 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
PTPRB P23467 1/20 0.52
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 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
SCHEMBL6090805 0.85 HPGD (0.74) HPGDLMNAMAPTALDH1A1KDM4E
SCHEMBL475759 0.82 HPGD (0.70) HPGDLMNAMAPTALDH1A1KDM4E
SCHEMBL63833 0.81 HPGD (0.70) HPGDLMNAMAPTALDH1A1KDM4E
SCHEMBL6526759 0.81 HPGD (0.69) HPGDLMNAMAPTALDH1A1RECQL
SCHEMBL1017480 0.81 HPGD (0.72) HPGDLMNAMAPTALDH1A1KMT2A
SCHEMBL9514803 0.81 HPGD (0.69) HPGDLMNAMAPTALDH1A1MEN1
SCHEMBL18873305 0.81 HPGD (0.69) HPGDLMNAMAPTALDH1A1KDM4E
SCHEMBL4187307 0.80 POLB (0.72) HPGDLMNAMAPTALDH1A1KDM4E
SCHEMBL457811 0.80 HPGD (0.67) HPGDLMNAMAPTALDH1A1KDM4E
SCHEMBL7861945 0.80 HPGD (0.67) HPGDLMNAMAPTALDH1A1CA1

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 30 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
EP-3661935-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES USEFUL AS KINASES INHIBITORS TELIGENE LTD (CN) 2022-10-12 EP disclosed
US-11344553-B2 Substituted pyrazolopyrimidines useful as kinases inhibitors TELIGENE LTD. (CN) 2022-05-31 US disclosed
US-11344553-B2 Substituted pyrazolopyrimidines useful as kinases inhibitors TELIGENE LTD. (CN) 2022-05-31 US disclosed
CN-111542522-B Substituted pyrazolopyrimidines useful as kinase inhibitors 苏州韬略生物科技有限公司 2021-10-15 CN disclosed
US-20210315899-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES USEFUL AS KINASES INHIBITORS TELIGENE LTD. (CN) 2021-10-14 US disclosed
US-20210315899-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES USEFUL AS KINASES INHIBITORS TELIGENE LTD. (CN) 2021-10-14 US disclosed
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2021-03-11 US disclosed
CN-111542522-A Substituted pyrazolopyrimidines useful as kinase inhibitors 苏州韬略生物科技有限公司 2020-08-14 CN 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 (9 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-20210315899-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES USEFUL AS KINASES INHIBITORS MAP3K20, MAP3K6, MAP3K8 HPGD 2114/4885LMNA 3887/4885MAPT 1437/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HPGD 2728/4885LMNA 3716/4885MAPT 3822/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO HPGD 2664/4885LMNA 3718/4885MAPT 3696/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HPGD 2728/4885LMNA 3716/4885MAPT 3822/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HPGD 2728/4885LMNA 3716/4885MAPT 3822/4885
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HPGD 2728/4885LMNA 3716/4885MAPT 3822/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO HPGD 2728/4885LMNA 3716/4885MAPT 3822/4885
US-11344553-B2 Substituted pyrazolopyrimidines useful as kinases inhibitors MAP3K20, PRKDC, MAP3K6 HPGD 2080/4885LMNA 3778/4885MAPT 1533/4885
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HPGD 2728/4885LMNA 3716/4885MAPT 3822/4885

“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.