Sugi Predict

Sugi Predict / Compounds / SCHEMBL1667036

SCHEMBL1667036

SCHEMBL1667036

O=C(Cc1ccccc1)NCC(=O)c1nc2ccccc2s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.72
▸ RAB9A P51151 5/20 0.72
▸ SMN1; SMN2 Q16637 3/20 0.72
▸ HPGD P15428 2/20 0.72
▸ CSNK1D P48730 4/20 0.67
▸ NFKB1 P19838 2/20 0.60
▸ NFKB2 Q00653 2/20 0.60
▸ RELA Q04206 2/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ MAPT P10636 3/20 0.56
▸ ALDH1A1 P00352 4/20 0.55
▸ GAA P10253 1/20 0.55
▸ MCL1 Q07820 1/20 0.55
▸ GLO1 Q04760 2/20 0.51
▸ PKM P14618 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ POLB P06746 2/20 0.47
▸ ATM Q13315 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
SCHEMBL5973802 0.84 RAB9A (1.00) NPC1RAB9ASMN1; SMN2HPGDCSNK1D
SCHEMBL22452064 0.79 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2HPGDCSNK1D
SCHEMBL5330099 0.75 L3MBTL1 (1.00) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL30050826 0.75 CSNK1D (1.00) NPC1RAB9ASMN1; SMN2CSNK1DNFKB1
SCHEMBL11585824 0.75 CSNK1D (1.00) NPC1RAB9ASMN1; SMN2CSNK1DNFKB1
SCHEMBL5068294 0.74 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL12210188 0.74 CSNK1D (0.61) RAB9ASMN1; SMN2HPGDCSNK1DNFKB1
SCHEMBL6179039 0.73 NPC1 (0.76) NPC1RAB9ASMN1; SMN2HPGDCSNK1D
SCHEMBL1667049 0.73 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2HPGDCSNK1D
SCHEMBL1667573 0.73 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2HPGDCSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691959-B2 Anti-inflammatory and antitumor 2-oxothiazoles and 2-oxothiophenes compounds AVEXXIN AS (NO) 2023-07-04 — — US disclosed
US-20220363659-A1 ANTI-INFLAMMATORY AND ANTITUMOR 2-OXOTHIAZOLES AND 2-OXOTHIOPHENES COMPOUNDS AVEXXIN AS (NO) 2022-11-17 — — US disclosed
US-10370344-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders AVEXXIN AS (NO) 2019-08-06 — — US disclosed
US-10370344-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders AVEXXIN AS (NO) 2019-08-06 — — US disclosed
US-10259801-B2 Anti-inflammatory and antitumor 2-oxothiazoles ABD 2-oxothiophenes compounds AVEXXIN AS (NO) 2019-04-16 — — US disclosed
EP-3431084-A1 ANTIINFLAMMATORY 2-OXOTHIAZOLES Avexxin AS (NO) 2019-01-23 — — EP disclosed
EP-3431084-A1 ANTIINFLAMMATORY 2-OXOTHIAZOLES Avexxin AS (NO) 2019-01-23 — — EP disclosed
US-20180105507-A1 ANTIIFLAMMATORY AND ANTITUMOR 2-OXOTHIAZOLES ABD 2-OXOTHIOPHENES COMPOUNDS AVEXXIN AS (NO) 2018-04-19 — — US disclosed
US-20170166539-A1 COMPOUND AVEXXIN AS (NO) 2017-06-15 — — US disclosed
US-20170166539-A1 COMPOUND AVEXXIN AS (NO) 2017-06-15 — — US disclosed
US-9597318-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders AVEXXIN AS (NO) 2017-03-21 — — US disclosed
US-9597318-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders AVEXXIN AS (NO) 2017-03-21 — — US disclosed
US-20150376161-A1 ANTIIFLAMMATORY AND ANTITUMOR 2-OXOTHIAZOLES ABD 2-OXOTHIOPHENES COMPOUNDS AVEXXIN AS (NO) 2015-12-31 — — US disclosed
EP-2482815-A1 ANTI INFLAMMATORY 2-OXOTHIAZOLES AND 2 -OXOOXAZOLES Avexxin AS (NO) 2012-08-08 — — EP disclosed
US-20110136879-A1 COMPOUND AVEXXIN AS (NO) 2011-06-09 — — US disclosed
US-20110136879-A1 COMPOUND AVEXXIN AS (NO) 2011-06-09 — — US disclosed
WO-2011039365-A1 ANTI INFLAMMATORY 2-OXOTHIAZOLES AND 2 -OXOOXAZOLES AVEXXIN AS (NO) 2011-04-07 — — WO disclosed
WO-2011039365-A1 ANTI INFLAMMATORY 2-OXOTHIAZOLES AND 2 -OXOOXAZOLES AVEXXIN AS (NO) 2011-04-07 — — 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 (8 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-20110136879-A1 COMPOUND CBR1, CBR3, CCR1 NPC1 116/4885RAB9A 3005/4885SMN1; SMN2 3110/4885
US-20170166539-A1 COMPOUND CBR1, CBR3, CCR1 NPC1 117/4885RAB9A 3024/4885SMN1; SMN2 3109/4885
US-20150376161-A1 ANTIIFLAMMATORY AND ANTITUMOR 2-OXOTHIAZOLES ABD 2-OXOTHIOPHENES COMPOUNDS FOXO1, FOXO3, BCOR NPC1 3415/4885RAB9A 3019/4885SMN1; SMN2 3443/4885
US-20180105507-A1 ANTIIFLAMMATORY AND ANTITUMOR 2-OXOTHIAZOLES ABD 2-OXOTHIOPHENES COMPOUNDS FOXO1, FOXO3, BCOR NPC1 3415/4885RAB9A 3019/4885SMN1; SMN2 3443/4885
US-10259801-B2 Anti-inflammatory and antitumor 2-oxothiazoles ABD 2-oxothiophenes compounds OXER1, CCL2, IL6 NPC1 2209/4885RAB9A 2797/4885SMN1; SMN2 4476/4885
US-20220363659-A1 ANTI-INFLAMMATORY AND ANTITUMOR 2-OXOTHIAZOLES AND 2-OXOTHIOPHENES COMPOUNDS OXER1, CASP1, IL6 NPC1 1280/4885RAB9A 3601/4885SMN1; SMN2 4244/4885
US-11691959-B2 Anti-inflammatory and antitumor 2-oxothiazoles and 2-oxothiophenes compounds CASP1, IL1B, OXER1 NPC1 839/4885RAB9A 2983/4885SMN1; SMN2 4190/4885
US-10370344-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders CX3CR1, LTC4S, CBR1 NPC1 274/4885RAB9A 3862/4885SMN1; SMN2 3227/4885

“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.