SCHEMBL1997891

SCHEMBL1997891

CCCCCc1cccc(B(O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 1.00
LPL P06858 6/20 1.00
TRPV1 Q8NER1 1/20 0.61
MGLL Q99685 1/20 0.61
ENPP2 Q13822 2/20 0.56
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47

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
SCHEMBL28980699 0.98 LIPG (1.00) LIPGLPLTRPV1MGLLENPP2
SCHEMBL28980647 0.98 LIPG (1.00) LIPGLPLTRPV1MGLLENPP2
SCHEMBL28980712 0.98 LIPG (1.00) LIPGLPLTRPV1MGLLENPP2
SCHEMBL28980689 0.98 LIPG (1.00) LIPGLPLTRPV1MGLLENPP2
SCHEMBL3146386 0.98 LIPG (1.00) LIPGLPLTRPV1MGLLENPP2
SCHEMBL3138179 0.95 LPL (0.90) LIPGLPLTRPV1MGLLENPP2
SCHEMBL1421621 0.87 LPL (0.77) LIPGLPLTRPV1MGLLENPP2
SCHEMBL30445243 0.84 LPL (0.75) LIPGLPLTRPV1MGLLENPP2
SCHEMBL18126523 0.84 LPL (0.75) LIPGLPLTRPV1MGLLENPP2
SCHEMBL10456885 0.82 LPL (0.69) LIPGLPLTRPV1MGLLCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115928264-A Preparation method of metal-containing near-stoichiometric continuous silicon carbide fiber 湖南泽睿新材料有限公司 2023-04-07 CN claimed
US-20230303710-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE IN COMBINATION WITH AN ANTI-CD38 THERAPEUTIC AGENT OHIO STATE INNOVATION FOUNDATION (US) 2023-09-28 US disclosed
CN-115928264-A Preparation method of metal-containing near-stoichiometric continuous silicon carbide fiber 湖南泽睿新材料有限公司 2023-04-07 CN disclosed
EP-3390571-B1 CINNAMIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2021-03-31 EP disclosed
US-10465115-B2 Cinnamic acid derivatives MERCK PATENT GMBH (DE) 2019-11-05 US disclosed
US-20180371318-A1 CINNAMIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2018-12-27 US disclosed
EP-3390571-A2 CINNAMIC ACID DERIVATIVES Merck Patent GmbH (DE) 2018-10-24 EP disclosed
WO-2017102053-A2 CINNAMIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2017-06-22 WO disclosed
EP-2337784-A1 MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-06-29 EP disclosed
WO-2010036871-A1 MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO disclosed
US-6448238-B1 BORONIC ACIDS USED WITH BETA-LACTAM ANTIBIOTICS, SUCH AS AMOXICILLIN OR CEFTAZIDIME, TO TREAT BETA-LACTAM ANTIBIOTIC RESISTANT BACTERIAL INFECTIONS NORTHWESTERN UNIVERSITY 2002-09-10 US disclosed
US-6417174-B1 BACTERICIDES NORTHWESTERN UNIVERSITY 2002-07-09 US disclosed
US-6184363-B1 Inhibitors of β-lactamases and uses therefor NORTHWESTERN UNIVERSITY 2001-02-06 US disclosed
EP-1009415-A4 INHIBITORS OF $g(b)-LACTAMASES AND USES THEREFOR UNIV NORTHWESTERN (US) 2000-10-25 EP disclosed
EP-1009415-A1 INHIBITORS OF $g(b)-LACTAMASES AND USES THEREFOR NORTHWESTERN UNIVERSITY (US) 2000-06-21 EP disclosed
US-6075014-A BACTERICIDES NORTHWESTERN UNIVERSITY (US) 2000-06-13 US disclosed
WO-1998056392-A1 INHIBITORS OF β-LACTAMASES AND USES THEREFOR NORTHWESTERN UNIVERSITY (US) 1998-12-17 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 (3 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-20180371318-A1 CINNAMIC ACID DERIVATIVES RCC1, LSS, C1S LIPG 2188/4885LPL 2000/4885TRPV1 1090/4885
US-10465115-B2 Cinnamic acid derivatives RCC1, LSS, C1S LIPG 2191/4885LPL 2055/4885TRPV1 1107/4885
US-20230303710-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE IN COMBINATION WITH AN ANTI-CD38 THERAPEUTIC AGENT DHODH, CD38, DPYD LIPG 1464/4885LPL 913/4885TRPV1 3027/4885

“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.