SCHEMBL2559833

SCHEMBL2559833

COC(C)c1cccc(B(O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 9/20 0.52
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MGLL Q99685 2/20 0.41
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ LPL P06858 2/20 0.38
▸ LIPG Q9Y5X9 2/20 0.38
▸ CA4 P22748 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ CA5B Q9Y2D0 1/20 0.37
▸ NLRP3 Q96P20 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
SCHEMBL1624381 0.83 ENPP2 (0.53) ENPP2KDM4EALDH1A1MGLLCA1
SCHEMBL129343 0.80 ENPP2 (0.50) ENPP2KDM4EALDH1A1MGLLCA1
SCHEMBL31430960 0.80 ENPP2 (0.50) ENPP2KDM4EALDH1A1MGLLCA1
SCHEMBL29138043 0.80 ENPP2 (0.50) ENPP2KDM4EALDH1A1MGLLCA1
SCHEMBL30688631 0.80 ENPP2 (0.50) ENPP2KDM4EALDH1A1MGLLCA1
SCHEMBL7901293 0.80 HDAC4 (0.41) KDM4EALDH1A1CA1CA2CA5A
SCHEMBL1812495 0.79 ENPP2 (0.48) ENPP2KDM4EALDH1A1MGLLCA1
SCHEMBL22498195 0.78 ACHE (0.47) ENPP2KDM4EALDH1A1MGLLLPL
SCHEMBL2561450 0.76 CA2 (0.50) ENPP2KDM4EMGLLCA1CA2
SCHEMBL5096934 0.76 ENPP2 (0.50) ENPP2KDM4EALDH1A1MGLLCA1

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
EP-4694893-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME Therapeutics LLC (US) 2026-02-18 — — EP disclosed
WO-2024216229-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC (US) 2024-10-17 — — WO disclosed
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2023-08-24 — — US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2022-02-17 — — US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 — — US disclosed
US-11130759-B1 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors IDEAYA BIOSCIENCE, INC. (US) 2021-09-28 — — US disclosed
US-11046691-B1 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors IDEAYA BIOSCIENCES, INC. (US) 2021-06-29 — — US disclosed
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2020-11-12 — — US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 — — EP disclosed
US-9012651-B2 TRPV3 modulators ABBVIE INC. (US) 2015-04-21 — — US disclosed
EP-2855426-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS Orion Corporation (FI) 2015-04-08 — — EP disclosed
EP-2718264-A1 BENZOCYCLOHEPTENE ACETIC ACIDS F.HOFFMANN-LA ROCHE AG (CH) 2014-04-16 — — EP disclosed
WO-2013175053-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORPORATION (FI) 2013-11-28 — — WO disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 — — EP disclosed
WO-2012168162-A1 BENZOCYCLOHEPTENE ACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 — — WO disclosed
US-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS FIROOZNIA FARIBORZ (US) 2012-12-06 — — US disclosed
US-20120245124-A1 TRPV3 Modulators ABBOTT LABORATORIES (US) 2012-09-27 — — US disclosed
WO-2012129491-A1 TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-09-27 — — WO disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 — — 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 (7 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-11046691-B1 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors MAT2B, MAT2A, MAT1A ENPP2 970/4885KDM4E 1484/4885ALDH1A1 910/4885
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 ENPP2 649/4885KDM4E 1554/4885ALDH1A1 4836/4885
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT ENPP2 4432/4885KDM4E 576/4885ALDH1A1 42/4885
US-20120245124-A1 TRPV3 Modulators TRPV3, TRPV2, TRPV1 ENPP2 353/4885KDM4E 3870/4885ALDH1A1 3067/4885
US-11130759-B1 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors MAT2B, MAT2A, MAT1A ENPP2 970/4885KDM4E 1484/4885ALDH1A1 910/4885
US-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS ACAT2, ACAT1, CYP27A1 ENPP2 557/4885KDM4E 1628/4885ALDH1A1 26/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT ENPP2 4432/4885KDM4E 576/4885ALDH1A1 42/4885

“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.

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