SCHEMBL6885407

SCHEMBL6885407

O=C(O)CN1C(=O)/C(=C/c2cccs2)SC1=S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.74
▸ LMNA P02545 1/20 0.65
▸ KMT2A Q03164 4/20 0.64
▸ MAPT P10636 3/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ PTPN12 Q05209 1/20 0.62
▸ PTPN22 Q9Y2R2 1/20 0.62
▸ MEN1 O00255 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ MMP3 P08254 1/20 0.60
▸ AKR1B1 P15121 1/20 0.60
▸ PTPN1 P18031 1/20 0.60
▸ MMP13 P45452 1/20 0.60

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
SCHEMBL6885409 1.00 FFAR1 (0.74) FFAR1LMNAKMT2AMAPTTDP1
SCHEMBL10464668 1.00 FFAR1 (0.74) FFAR1LMNAKMT2AMAPTTDP1
SCHEMBL12008950 0.87 FFAR1 (0.86) FFAR1LMNAKMT2AMAPTMEN1
SCHEMBL20534434 0.86 KDR (0.66) FFAR1KMT2AMAPTMEN1POLB
SCHEMBL20534435 0.86 KDR (0.66) FFAR1KMT2AMAPTMEN1POLB
SCHEMBL12006896 0.85 FFAR1 (1.00) FFAR1LMNAKMT2AMAPTTDP1
SCHEMBL1901692 0.85 PTPN22 (0.61) FFAR1KMT2AMAPTPTPN12PTPN22
SCHEMBL1901689 0.85 PTPN22 (0.61) FFAR1KMT2AMAPTPTPN12PTPN22
SCHEMBL1901690 0.85 PTPN22 (0.61) FFAR1KMT2AMAPTPTPN12PTPN22
SCHEMBL13056346 0.83 PTPN22 (0.67) KMT2AMAPTPTPN12PTPN22MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298390-A1 INHIBITION OF LETHAL FACTOR PROTEASE ACTIVITY FROM ANTHRAX TOXIN BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-11-25 — — US disclosed
US-20100298390-A1 INHIBITION OF LETHAL FACTOR PROTEASE ACTIVITY FROM ANTHRAX TOXIN BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-11-25 — — US disclosed
US-7718680-B2 Inhibition of lethal factor protease activity from anthrax toxin BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-05-18 — — US disclosed
US-7718680-B2 Inhibition of lethal factor protease activity from anthrax toxin BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-05-18 — — US disclosed
US-20080033025-A1 Inhibition of lethal factor protease activity from anthrax toxin NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-02-07 — — US disclosed
US-20080033025-A1 Inhibition of lethal factor protease activity from anthrax toxin NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-02-07 — — US disclosed
US-6673816-B1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders Esswein, Angelika (DE) 2004-01-06 — — US disclosed
US-20030032813-A1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders ANGELIKA ESSWEIN, WOLFGANG SCHAEFER, AND KONRAD HONOLD 2003-02-13 — — US disclosed
EP-1117655-A1 RHODANINE CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS Esswein, Angelika (DE) 2001-07-25 — — EP disclosed
WO-2000018747-A1 RHODANINE CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 — — 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-20030032813-A1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders NR1H4, NR1D1, NR1I2 FFAR1 239/4885LMNA 3168/4885KMT2A 1995/4885
US-20100298390-A1 INHIBITION OF LETHAL FACTOR PROTEASE ACTIVITY FROM ANTHRAX TOXIN APAF1, ANTXR2, SERPINB1 FFAR1 3748/4885LMNA 1087/4885KMT2A 3456/4885
US-20080033025-A1 Inhibition of lethal factor protease activity from anthrax toxin APAF1, ANTXR2, SERPINB1 FFAR1 3748/4885LMNA 1087/4885KMT2A 3456/4885

“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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