SCHEMBL12041029

SCHEMBL12041029

O=C(NCCS(=O)(=O)O)c1ccccc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.60
▸ HTT P42858 3/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ NLRP1 Q9C000 1/20 0.56
▸ ALOX5 P09917 3/20 0.54
▸ NAMPT P43490 1/20 0.51
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ MPO P05164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HIF1A Q16665 1/20 0.50

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
SCHEMBL15340454 0.85 NAAA (0.59) NAAAHTTNPC1HPGDHSD17B10
SCHEMBL12608929 0.85 ALDH1A1 (0.54) NAAAHTTNPC1HPGDHSD17B10
SCHEMBL31119120 0.84 HTT (0.69) NAAAHTTNPC1HPGDHSD17B10
SCHEMBL5707054 0.84 HTT (0.69) NAAAHTTNPC1HPGDHSD17B10
SCHEMBL31119121 0.84 HTT (0.69) NAAAHTTNPC1HPGDHSD17B10
SCHEMBL823552 0.82 NAAA (0.84) NAAAHTTNPC1HPGDHSD17B10
Hydrochloric Acid SCHEMBL15769882 0.82 HTT (0.67) NAAAHTTNPC1HPGDHSD17B10
SCHEMBL8346286 0.82 HTT (0.67) NAAAHTTNPC1HPGDHSD17B10
SCHEMBL23222214 0.82 ALDH1A1 (0.56) HTTHPGDHSD17B10ALDH1A1TSHR
SCHEMBL12608923 0.81 NAAA (0.62) NAAAALOX5KDM4EGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9155748-B2 Aromatic carboxylic acid derivatives for treatment and prophylaxis of gastrointestinal diseases including colon cancers EKWURIBE NNOCHIRI (US) 2015-10-13 — — US disclosed
US-9155748-B2 Aromatic carboxylic acid derivatives for treatment and prophylaxis of gastrointestinal diseases including colon cancers EKWURIBE NNOCHIRI (US) 2015-10-13 — — US disclosed
US-20140073610-A1 AROMATIC CARBOXYLIC ACID DERIVATIVES FOR TREATMENT AND PROPHYLAXIS OF GASTROINTESTINAL DISEASES INCLUDING COLON CANCERS NUMED INTERNATIONAL, INC. (US) 2014-03-13 — — US disclosed
US-20140073610-A1 AROMATIC CARBOXYLIC ACID DERIVATIVES FOR TREATMENT AND PROPHYLAXIS OF GASTROINTESTINAL DISEASES INCLUDING COLON CANCERS NUMED INTERNATIONAL, INC. (US) 2014-03-13 — — US disclosed
US-8575217-B2 Anti-inflammatory and antioxidant conjugates useful for treating metabolic disorders GENMEDICA THERAPEUTICS SL (ES) 2013-11-05 — — US disclosed
US-8575217-B2 Anti-inflammatory and antioxidant conjugates useful for treating metabolic disorders GENMEDICA THERAPEUTICS SL (ES) 2013-11-05 — — US disclosed
US-8569466-B2 Aromatic carboxylic acid derivatives for treatment and prophylaxis of gastrointestinal diseases including colon cancers EKWURIBE NNOCHIRI (US) 2013-10-29 — — US disclosed
US-8569466-B2 Aromatic carboxylic acid derivatives for treatment and prophylaxis of gastrointestinal diseases including colon cancers EKWURIBE NNOCHIRI (US) 2013-10-29 — — US disclosed
US-20130281520-A1 Anti-Inflammatory And Antioxidant Conjugates Useful For Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2013-10-24 — — US disclosed
US-20110319267-A1 AROMATIC CARBOXYLIC ACID DERIVATIVES FOR TREATMENT AND PROPHYLAXIS OF GASTROINTESTINAL DISEASES INCLUDING COLON CANCERS NUMED INTERNATIONAL, INC. (US) 2011-12-29 — — US disclosed
US-20110319267-A1 AROMATIC CARBOXYLIC ACID DERIVATIVES FOR TREATMENT AND PROPHYLAXIS OF GASTROINTESTINAL DISEASES INCLUDING COLON CANCERS NUMED INTERNATIONAL, INC. (US) 2011-12-29 — — US disclosed
US-20100234452-A1 Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2010-09-16 — — US disclosed
US-20100234452-A1 Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2010-09-16 — — US disclosed
WO-2010030781-A2 AROMATIC CARBOXYLIC ACID DERIVATIVES FOR TREATMENT AND PROPHYLAXIS OF GASTROINTESTINAL DISEASES INCLUDING COLON CANCER NUMED INTERNATIONAL, INC. (US) 2010-03-18 — — 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 (4 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-20130281520-A1 Anti-Inflammatory And Antioxidant Conjugates Useful For Treating Metabolic Disorders HSD17B14, SORD, GPX4 NAAA 2969/4885HTT 488/4885NPC1 2779/4885
US-20100234452-A1 Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders HSD17B14, SORD, GPX4 NAAA 2969/4885HTT 488/4885NPC1 2779/4885
US-20140073610-A1 AROMATIC CARBOXYLIC ACID DERIVATIVES FOR TREATMENT AND PROPHYLAXIS OF GASTROINTESTINAL DISEASES INCLUDING COLON CANCERS TPMT, AADAT, SLC10A2 NAAA 909/4885HTT 2940/4885NPC1 2177/4885
US-20110319267-A1 AROMATIC CARBOXYLIC ACID DERIVATIVES FOR TREATMENT AND PROPHYLAXIS OF GASTROINTESTINAL DISEASES INCLUDING COLON CANCERS TPMT, AADAT, SLC10A2 NAAA 909/4885HTT 2940/4885NPC1 2177/4885

“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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