SCHEMBL478257

SCHEMBL478257

CC(C)(O)C(C)(C)OB(O)c1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.31
AHR P35869 1/20 0.31
POLB P06746 1/20 0.31
TNF P01375 1/20 0.30
KLF5 Q13887 1/20 0.30
NOD2 Q9HC29 1/20 0.30
NOD1 Q9Y239 1/20 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
SCHEMBL15572702 0.82 CYP19A1 (0.31)
SCHEMBL4052737 0.80 SMN1; SMN2 (0.33) SMN1; SMN2L3MBTL1
SCHEMBL5951160 0.79 CYP1A2 (0.33) SMN1; SMN2L3MBTL1ALDH1A1POLB
SCHEMBL119711 0.77 TRPV6 (0.39) ALDH1A1
SCHEMBL2814691 0.76 NUDT1 (0.30)
SCHEMBL25436909 0.74 ALDH1A1 (0.36) SMN1; SMN2L3MBTL1ALDH1A1POLB
SCHEMBL1182091 0.74 NOS3 (0.35)
SCHEMBL152217 0.74
SCHEMBL304987 0.74 CYP3A4 (0.33) ALDH1A1
SCHEMBL456250 0.74 P2RX7 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112159423-A Synthesis method of 1H-pyrrolo [2,3-b ] pyridine-2-boronic acid pinacol ester 凯美克(上海)医药科技有限公司 2021-01-01 CN claimed
CN-106532120-B A kind of nonaqueous electrolytic solution and the lithium secondary battery using the electrolyte 广州天赐高新材料股份有限公司 2019-02-01 CN claimed
CN-103910672-B The preparation method of Vismodegib 连云港润众制药有限公司 2016-10-05 CN claimed
US-12312337-B2 Compounds and methods for treating cancer ANTIDOTE IP HOLDINGS, LLC (US) 2025-05-27 US disclosed
US-12247027-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2025-03-11 US disclosed
US-20240116930-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-04-11 US disclosed
US-11820770-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20220213095-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-07-07 US disclosed
US-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC 2022-06-30 US disclosed
EP-3966208-A2 COMPOUNDS AND METHODS FOR TREATING CANCER Antidote IP Holdings, LLC (US) 2022-03-16 EP disclosed
US-11225478-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2022-01-18 US disclosed
EP-2635556-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 EP disclosed
US-8252935-B2 Piperidinyl and piperazinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-28 US disclosed
US-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
WO-2012061418-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed
EP-2212287-B1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2012-02-01 EP disclosed
WO-2011159781-A2 BITTER TASTE MODULATORS SENOMYX, INC. (US) 2011-12-22 WO disclosed
EP-2212287-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2010-08-04 EP disclosed
WO-2009052126-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF γ-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed
US-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 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 (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-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE BACE1, BACE2, PSEN1 SMN1; SMN2 3270/4885L3MBTL1 2733/4885ALDH1A1 3212/4885
US-12247027-B2 P2X7 modulators P2RX2, P2RX7, P2RY2 SMN1; SMN2 3812/4885L3MBTL1 4880/4885ALDH1A1 1628/4885
US-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK SMN1; SMN2 2692/4885L3MBTL1 4503/4885ALDH1A1 1312/4885
US-11225478-B2 P2X7 modulators P2RX2, P2RX7, P2RY2 SMN1; SMN2 3812/4885L3MBTL1 4880/4885ALDH1A1 1628/4885
US-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER AHR, ARNT, HMOX1 SMN1; SMN2 4699/4885L3MBTL1 3525/4885ALDH1A1 152/4885
US-11820770-B2 P2X7 modulators P2RX2, P2RX7, P2RY2 SMN1; SMN2 3812/4885L3MBTL1 4880/4885ALDH1A1 1628/4885
US-20220213095-A1 P2X7 MODULATORS P2RX2, P2RX7, P2RY2 SMN1; SMN2 3812/4885L3MBTL1 4880/4885ALDH1A1 1628/4885
US-20240116930-A1 P2X7 MODULATORS P2RX2, P2RX7, P2RY2 SMN1; SMN2 3812/4885L3MBTL1 4880/4885ALDH1A1 1628/4885
US-12312337-B2 Compounds and methods for treating cancer AHR, ARNT, HMOX1 SMN1; SMN2 4699/4885L3MBTL1 3525/4885ALDH1A1 152/4885

“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.