SCHEMBL2370331

SCHEMBL2370331

COC(=O)c1cnc(NC(=O)c2ccccc2C(=O)OC)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 2/20 0.54
FFAR2 O15552 1/20 0.49
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
PKM P14618 2/20 0.47
STAT3 P40763 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 2/20 0.46
MLNR O43193 1/20 0.46
NR1I2 O75469 1/20 0.46
ABCB11 O95342 1/20 0.46
TP53 P04637 1/20 0.46
ADRB2 P07550 1/20 0.46
CHRM2 P08172 1/20 0.46
ADRB1 P08588 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL25142632 0.89 ALDH1A1 (0.51) FFAR2ALDH1A1NPC1RAB9APKM
SCHEMBL3580537 0.84 KDR (0.61) FFAR2ALDH1A1NPC1RAB9APKM
SCHEMBL5836033 0.83 CDK2 (0.66) DDX3XALDH1A1NPC1RAB9APKM
SCHEMBL31426449 0.82 DDX3X (0.50) DDX3XFFAR2ALDH1A1NPC1RAB9A
SCHEMBL2370632 0.81 CYP1A2 (0.58) DDX3XALDH1A1NPC1RAB9APKM
SCHEMBL2370795 0.77 FFAR2 (0.53) FFAR2RAB9ASMN1; SMN2CCNE1CDK2
SCHEMBL22616868 0.77 KDM4E (0.58) FFAR2ALDH1A1NPC1RAB9ALMNA
SCHEMBL27706901 0.77 NPC1 (0.55) FFAR2ALDH1A1NPC1RAB9APKM
SCHEMBL6330953 0.75 SMN1; SMN2 (0.68) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL4716373 0.75 MAPK14 (0.59) ALDH1A1NPC1RAB9APKMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281708-A1 Process for the Production of 2-Amino-5-Fluorothiazole TAKEDA CALIFORNIA, INC. (US) 2013-10-24 US disclosed
US-20130281708-A1 Process for the Production of 2-Amino-5-Fluorothiazole TAKEDA CALIFORNIA, INC. (US) 2013-10-24 US disclosed
EP-2547667-A1 PROCESS FOR THE PRODUCTION OF 2-AMINO-5-FLUOROTHIAZOLE Takeda California, Inc. (US) 2013-01-23 EP disclosed
WO-2011115758-A1 PROCESS FOR THE PRODUCTION OF 2-AMINO-5-FLUOROTHIAZOLE TAKEDA SAN DIEGO, INC. (US) 2011-09-22 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-20130281708-A1 Process for the Production of 2-Amino-5-Fluorothiazole GFPT1, PFAS, PFKFB4 DDX3X 4553/4885FFAR2 896/4885ALDH1A1 1653/4885

“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.