SCHEMBL1017987

SCHEMBL1017987

CSc1ccc(C(=O)O)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.61
RXRB P28702 2/20 0.45
RXRA P19793 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.43
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
PLK1 P53350 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
RARB P10826 1/20 0.40

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
SCHEMBL29844261 0.86 MCL1 (0.48) MCL1L3MBTL1KMT2AALDH1A1AKR1C3
SCHEMBL22514066 0.84 MCL1 (0.47) MCL1L3MBTL1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2845642 0.84 MCL1 (0.67) MCL1L3MBTL1KMT2AALDH1A1AKR1C3
SCHEMBL11723811 0.83 MCL1 (0.71) MCL1L3MBTL1KMT2AALDH1A1AKR1C3
SCHEMBL9102881 0.82 HPGD (0.48) MCL1L3MBTL1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3161431 0.80 MCL1 (0.72) MCL1KMT2AALDH1A1AKR1C3AKR1C2
SCHEMBL2257900 0.79 ALDH1A1 (0.45) MCL1L3MBTL1KMT2AALDH1A1SMN1; SMN2
SCHEMBL31229283 0.79 ALDH1A1 (0.45) MCL1L3MBTL1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13934196 0.79 RXRB (0.41) MCL1RXRBRXRAALDH1A1KDM4E
SCHEMBL10274092 0.78 MCL1 (0.59) MCL1L3MBTL1KMT2AALDH1A1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260001886-A1 ENPP1 INHIBITORS I RE VENTURES I LLC (US) 2026-01-01 US disclosed
WO-2025233863-A1 ENPP1 INHIBITORS RE VENTURES I, LLC (US) 2025-11-13 WO disclosed
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-20200039921-A1 ANTIFIBRINOLYTIC COMPOUNDS CHIBBER BAKSHY A (US) 2020-02-06 US disclosed
US-10202331-B2 Antifibrinolytic compounds THROMBOLYTICS LLC (US) 2019-02-12 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-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-4014932-A ANTHELMINTICS, PESTICIDES, MITICIDES, INSECTICIDES THE UPJOHN COMPANY (US) 1977-03-29 US disclosed
US-3931318-A ANTHELMINTICS, PESTICIDES THE UPJOHN COMPANY (US) 1976-01-06 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 (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 MCL1 286/4885RXRB 67/4885RXRA 108/4885
US-10202331-B2 Antifibrinolytic compounds F2, FGB, SERPINC1 MCL1 4304/4885RXRB 3388/4885RXRA 3539/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MCL1 286/4885RXRB 67/4885RXRA 108/4885
US-20260001886-A1 ENPP1 INHIBITORS I ENPP1, ENPP2, ENPP3 MCL1 826/4885RXRB 3373/4885RXRA 3436/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO MCL1 348/4885RXRB 72/4885RXRA 122/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MCL1 286/4885RXRB 67/4885RXRA 108/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MCL1 286/4885RXRB 67/4885RXRA 108/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MCL1 286/4885RXRB 67/4885RXRA 108/4885
US-20200039921-A1 ANTIFIBRINOLYTIC COMPOUNDS F2, SERPINC1, F12 MCL1 4123/4885RXRB 2587/4885RXRA 2669/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MCL1 286/4885RXRB 67/4885RXRA 108/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO MCL1 286/4885RXRB 67/4885RXRA 108/4885
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MCL1 286/4885RXRB 67/4885RXRA 108/4885

“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.