SCHEMBL645658

SCHEMBL645658

Cc1c(F)cc(CC(N)C(=O)O)c(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 3/20 0.51
▸ ALOX15 P16050 3/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ PKM P14618 2/20 0.51
▸ HIF1A Q16665 2/20 0.51
▸ RECQL P46063 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ NFKB1 P19838 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ BLM P54132 2/20 0.51
▸ PMP22 Q01453 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ RGS12 O14924 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CASP1 P29466 1/20 0.51

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
SCHEMBL22090175 0.87 USP2 (0.51) USP2ALOX15HSD17B10KDM4EPKM
SCHEMBL1831639 0.85 KDM4E (0.56) USP2ALOX15HSD17B10KDM4EPKM
SCHEMBL30544042 0.85 KDM4E (0.56) USP2ALOX15HSD17B10KDM4EPKM
SCHEMBL5319590 0.82 USP2 (0.57) USP2ALOX15HSD17B10KDM4EPKM
SCHEMBL322624 0.82 USP2 (0.57) USP2ALOX15HSD17B10KDM4EPKM
SCHEMBL16089572 0.81 USP2 (0.47) USP2ALOX15HSD17B10KDM4EPKM
SCHEMBL20038725 0.79 USP2 (0.53) USP2ALOX15HSD17B10KDM4EPKM
SCHEMBL6129758 0.78 USP2 (0.49) USP2ALOX15HSD17B10KDM4EPKM
SCHEMBL16089573 0.78 SLC7A5 (0.52) USP2ALOX15HSD17B10KDM4EPKM
SCHEMBL1818169 0.78 USP2 (0.59) USP2ALOX15HSD17B10KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108276473-A A kind of insect kassinin kinin analog and its application in control of insect 中国农业大学 2018-07-13 — — CN claimed
CN-110267971-A Immunomodulator 百时美施贵宝公司 2019-09-20 — — CN disclosed
CN-109153703-A Immunomodulator 百时美施贵宝公司 2019-01-04 — — CN disclosed
CN-107337713-A Antibacterial peptides and preparation method thereof 上海医药工业研究院 2017-11-10 — — CN disclosed
CN-107223129-A Immunomodulator 百时美施贵宝公司 2017-09-29 — — CN disclosed
CN-107108697-A Immunomodulator 百时美施贵宝公司 2017-08-29 — — CN disclosed
CN-107108698-A Macrocyclic peptides as immunomodulators 百时美施贵宝公司 2017-08-29 — — CN disclosed
CN-106999536-A Macrocyclic inhibitors of PD-1/PD-L1 and CD80(B7-1)/PD-L1 protein/protein interactions 百时美施贵宝公司 2017-08-01 — — CN disclosed
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 — — US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 — — US disclosed
US-6103711-A INTERLEUKIN-1 MEDIATED DISEASES; ANTIINFLAMMATORY AND -CARCINOGENIC AGENTS; AUTOIMMUNE AND NEURODEGENERATIVE DISEASES VERTEX PHARMACEUTICALS, INCORPORATED (US) 2000-08-15 — — US disclosed
US-6008217-A AN ENZYME INHIBITOR AGAINST INTERLEUKIN-1B, FOR TREATING APOPTOSIS-MEDIATED DISEASES, INCLUDING INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, PROLIFERATIVE DISORDERS, INFECTIOUS DISEASES, AND DEGENERATIVE DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-12-28 — — US disclosed
US-5973111-A NOVEL COMPOUNDS THAT ARE CAPABLE OF BINDING TO THE ACTIVE SITE OF INTERLEUKIN-1B-CONVERTING ENZYME (ICE) AND INHIBITING ACTIVITY OF THAT ENZYME; ADMINISTERING TO TREAT INFLAMMATORY, AUTOIMMUNE, AND NEURODEGENERATIVE DISEASES VERTEX PHARMACEUTICALS, INC. (US) 1999-10-26 — — US disclosed
US-5847135-A Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS, INCORPORATED (US) 1998-12-08 — — US disclosed
EP-0869967-A2 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1998-10-14 — — EP disclosed
US-5716929-A THERAPY FOR INFLAMMATION, AUTOIMMUNE DISEASES VERTEX PHARMACEUTICALS, INC. (US) 1998-02-10 — — US disclosed
US-5656627-A USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE AND NEURODEGENERATIVE DISEASES VERTEX PHARMACEUTICALS, INC. (US) 1997-08-12 — — US disclosed
EP-0784628-A1 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1997-07-23 — — EP disclosed
WO-1997022619-A2 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-06-26 — — WO disclosed
WO-1995035308-A1 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-12-28 — — 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 (1 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-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B USP2 1504/4885ALOX15 917/4885HSD17B10 1135/4885

“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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