SCHEMBL1008543

SCHEMBL1008543

CC(C)(C)OC(=O)Nc1ccccc1B(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46
▸ BRD9 Q9H8M2 1/20 0.44
▸ METAP1 P53582 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ LIPE Q05469 3/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ IDO1 P14902 1/20 0.38

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
SCHEMBL29525132 1.00 LMNA (0.47) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL3780741 0.86 RXFP1 (0.43) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL21439216 0.86 RXFP1 (0.43) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL2880191 0.86 LMNA (0.54) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL29781362 0.84 RXFP1 (0.45) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL29953991 0.84 RXFP1 (0.43) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL12116536 0.84 RXFP1 (0.43) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL3790507 0.83 RXFP1 (0.46) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL22735089 0.83 LMNA (0.47) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL924510 0.83 RXFP1 (0.40) LMNAPOLBRXFP1BRD9METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991638-B1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-08-17 — — EP claimed
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-28 — — US claimed
US-6339099-B1 FOR THERAPY AND PROPHYLAXIS OF THROMBOEMBOLIC DISORDER DUPONT PHARMACEUTICALS COMPANY 2002-01-15 — — US claimed
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 — — 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-20220106278-A1 REAGENTS AND METHODS FOR TETRAZINE SYNTHESIS UNIVERSITY OF DELAWARE (US) 2022-04-07 — — US disclosed
US-10626112-B2 Heterocyclic sulfonamide derivative and medicine comprising same EA PHARMA CO., LTD. (JP) 2020-04-21 — — US disclosed
EP-3101015-B1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME EA PHARMA CO LTD (JP) 2019-09-18 — — EP disclosed
US-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2018-11-22 — — US disclosed
US-9950062-B2 Compounds and compositions as TLR activity modulators GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2018-04-24 — — US disclosed
EP-2440245-B1 BENZONAPHTHYRIDINE-CONTAINING VACCINES GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-12-06 — — EP disclosed
WO-2000066563-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2000-11-09 — — WO disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 — — US disclosed
US-5885999-A TREATMENT OR PREVENTION OF PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTHERPETIC NEURALGIA MERCK SHARP & DOHME LTD. (GB) 1999-03-23 — — US disclosed
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 — — US disclosed
EP-0828754-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1998-03-18 — — EP disclosed
WO-1996038471-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1996-12-05 — — WO disclosed
WO-1996035713-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER, INC. (US) 1996-11-14 — — WO disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 — — EP disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 — — 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 (5 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-11767302-B2 Reagents and methods for tetrazine synthesis TST, CYP4F8, CYP4Z1 LMNA 3980/4885POLB 2773/4885RXFP1 4762/4885
US-20220106278-A1 REAGENTS AND METHODS FOR TETRAZINE SYNTHESIS TST, CYP4F8, CYP4Z1 LMNA 3980/4885POLB 2773/4885RXFP1 4762/4885
US-10626112-B2 Heterocyclic sulfonamide derivative and medicine comprising same TRPA1, TRPV1, TRPV2 LMNA 3491/4885POLB 4839/4885RXFP1 1215/4885
US-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF HAMP, MAVS, MYD88 LMNA 700/4885POLB 2979/4885RXFP1 3410/4885
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors F11, SERPINC1, TFPI LMNA 889/4885POLB 3637/4885RXFP1 137/4885

“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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