SCHEMBL3241979

SCHEMBL3241979

Cc1ccc2c(c1)C(O)OC2=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
MAOB P27338 8/20 0.40
ALDH1A1 P00352 5/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
MAOA P21397 2/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
CYP19A1 P11511 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL30777045 0.86 MAPT (0.37) ELANEMAOBALDH1A1CA1CA2
SCHEMBL27172612 0.86 MAPT (0.37) ELANEMAOBALDH1A1CA1CA2
SCHEMBL15494463 0.85 ELANE (0.41) ELANEMAOBALDH1A1CA1CA2
SCHEMBL26122621 0.80 TDP1 (0.48) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL29531995 0.78 MAOB (0.40) MAOBALDH1A1CA1CA2CA7
SCHEMBL87581 0.78 S100A4 (0.41) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL2532868 0.78 S100A4 (0.41) ALDH1A1CA1CA2CA4CA7
SCHEMBL18705360 0.78 ELANE (0.41) ELANEMAOBALDH1A1CA1CA2
SCHEMBL30546243 0.78 S100A4 (0.41) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL3762755 0.78 MAOB (0.40) MAOBALDH1A1CA1CA2CA7

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
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
EP-1409463-B1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION BRISTOL MYERS SQUIBB CO (US) 2010-02-24 EP disclosed
EP-1409463-B1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION BRISTOL MYERS SQUIBB CO (US) 2010-02-24 EP disclosed
EP-1242385-B1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA INC (US) 2009-11-25 EP disclosed
EP-1242385-B1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA INC (US) 2009-11-25 EP disclosed
US-7479495-B2 N-heterocyclic inhibitors of TNF-α expression PHARMACOPEIA, INC. (US) 2009-01-20 US disclosed
US-7479495-B2 N-heterocyclic inhibitors of TNF-α expression PHARMACOPEIA, INC. (US) 2009-01-20 US disclosed
US-7479495-B2 N-heterocyclic inhibitors of TNF-α expression PHARMACOPEIA, INC. (US) 2009-01-20 US disclosed
US-20050239770-A1 N-heterocyclic inhibitors of TNF-alpha expression MORIARTY KEVIN J 2005-10-27 US disclosed
US-6906067-B2 N-heterocyclic inhibitors of TNF-α expression BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-14 US disclosed
EP-1409463-A1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION Bristol-Myers Squibb Company (US) 2004-04-21 EP disclosed
WO-2003002542-A1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-01-09 WO disclosed
US-20020137747-A1 N- heterocyclic inhibitors of TNF-alpha expression PHARMACEOPEIA, INC. 2002-09-26 US disclosed
EP-1242385-A1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA, INC. (US) 2002-09-25 EP disclosed
US-20020065270-A1 N-heterocyclic inhibitors of TNF-alpha expression PHARMACOPEIA, INC. 2002-05-30 US disclosed
WO-2001047897-A1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA, INC. (US) 2001-07-05 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-20230202989-A1 COMPOUNDS NLRP3, NLRP1, IL1B ELANE 219/4885MAOB 3376/4885ALDH1A1 1603/4885
US-20050239770-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, RELA, NFKBIA ELANE 276/4885MAOB 664/4885ALDH1A1 394/4885
US-20020137747-A1 N- heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, RELA ELANE 276/4885MAOB 674/4885ALDH1A1 274/4885
US-20020065270-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, RELA ELANE 276/4885MAOB 674/4885ALDH1A1 274/4885
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC ELANE 833/4885MAOB 1866/4885ALDH1A1 2364/4885

“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.