SCHEMBL5529438

SCHEMBL5529438

NC(=S)NC(=O)c1c(F)cccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
ITGB2 P05107 1/20 0.47
ICAM1 P05362 1/20 0.47
ITGAL P20701 1/20 0.47
PPIA P62937 1/20 0.46
HTT P42858 2/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
NOD2 Q9HC29 1/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL6989541 0.84 JAK2 (0.53) MEN1KMT2ACES2CES1ITGB2
SCHEMBL31259499 0.83 CES2 (0.61) ALDH1A1MEN1KMT2ACES2CES1
SCHEMBL28761254 0.79 ALDH1A1 (0.73) ALDH1A1MEN1KMT2ACES2CES1
Hydrochloric Acid SCHEMBL8390632 0.79 KMT2A (0.47) ALDH1A1MEN1KMT2ACES2CES1
SCHEMBL11099551 0.78 CES2 (0.54) ALDH1A1MEN1KMT2ACES2CES1
SCHEMBL13328951 0.76 CES2 (0.52) ALDH1A1MEN1KMT2ACES2CES1
SCHEMBL11237942 0.76 CES2 (0.52) MEN1KMT2ACES2CES1ITGB2
Hydrochloric Acid SCHEMBL11237947 0.76 CES2 (0.52) ALDH1A1MEN1KMT2ACES2CES1
SCHEMBL1127907 0.75 CES2 (0.56) ALDH1A1MEN1KMT2ACES2CES1
SCHEMBL8372493 0.74 CES2 (0.61) MEN1KMT2ACES2CES1PPIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-15 US disclosed
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-15 US disclosed
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-15 US disclosed
US-20130317032-A1 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-11-28 US disclosed
US-8455658-B2 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-06-04 US disclosed
US-8455658-B2 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-06-04 US disclosed
US-8455658-B2 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-06-04 US disclosed
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
WO-2007087427-A2 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 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-20130317032-A1 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR1, NLRP3, NLRP1 ALDH1A1 747/4885MEN1 3972/4885KMT2A 4375/4885
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR1, NLRP3, NLRP1 ALDH1A1 747/4885MEN1 3972/4885KMT2A 4375/4885
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses CXCR1, NLRP3, NLRP1 ALDH1A1 747/4885MEN1 3972/4885KMT2A 4375/4885

“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.