SCHEMBL4654073

SCHEMBL4654073

O=C(Oc1ccc(OC(=O)c2ccc(B(O)O)cc2F)c(Cl)c1)c1ccc(B(O)O)cc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ ENPP2 Q13822 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.35
▸ SCN9A Q15858 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
SCHEMBL8299163 0.72 CYP1A2 (0.34) KMT2ACYP1A2ESR1ESR2ENPP2
SCHEMBL363322 0.71 CA1 (0.43) KMT2ARAB9AHPGDENPP2MAPT
SCHEMBL5561238 0.69 MAPT (0.42) KMT2ARAB9ACYP1A2MAPTPOLB
SCHEMBL13644473 0.69 ALDH1A1 (0.48) ALOX15ENPP2
SCHEMBL4654782 0.68 ALOX5 (0.49) KMT2AHPGDMAPTPOLBNR1H4
SCHEMBL763540 0.68 CA12 (0.47) KMT2AMAPTPOLBNPC1SMN1; SMN2
SCHEMBL29950690 0.68 CA12 (0.47) KMT2AMAPTPOLBNPC1SMN1; SMN2
SCHEMBL362047 0.67 CES2 (0.41) CYP1A2NR1H4
SCHEMBL29689051 0.67 CES2 (0.41) CYP1A2NR1H4
SCHEMBL28616192 0.67 TSHR (0.53) MAPK1CYP1A2ESR1POLBSMN1; SMN2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682076-A4 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS INC (US) 2008-02-06 — — EP disclosed
US-7183267-B2 β-lactamase inhibitors and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2007-02-27 — — US disclosed
US-7183267-B2 β-lactamase inhibitors and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2007-02-27 — — US disclosed
US-7183267-B2 β-lactamase inhibitors and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2007-02-27 — — US disclosed
EP-1682076-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF Fulcrum Pharmaceuticals, Inc. (US) 2006-07-26 — — EP disclosed
EP-1635812-A2 BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF Fulcrum Pharmaceuticals, Inc. (US) 2006-03-22 — — EP disclosed
US-20050267071-A1 Inhibitors of coronavirus protease and methods of use thereof FULCRUM PHARMACEUTICALS, INC. (US) 2005-12-01 — — US disclosed
US-20050124580-A1 Beta-lactamase inhibitors and methods of use thereof FULCRUM PHARMACEUTICALS, INC. (US) 2005-06-09 — — US disclosed
WO-2005041904-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS, INC. (US) 2005-05-12 — — WO disclosed
WO-2005041904-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS, INC. (US) 2005-05-12 — — WO disclosed
WO-2005004799-A2 β-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS, INC. (US) 2005-01-20 — — 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 (2 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-20050267071-A1 Inhibitors of coronavirus protease and methods of use thereof ACE, ACE2, CTRL KMT2A 3018/4885RAB9A 3194/4885HPGD 3235/4885
US-20050124580-A1 Beta-lactamase inhibitors and methods of use thereof LCT, BCHE, GAA KMT2A 1341/4885RAB9A 1236/4885HPGD 1739/4885

“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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