SCHEMBL5528567

SCHEMBL5528567

CC(C)(C)c1nc(C(F)(F)F)c(C(=O)O)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
GPR35 Q9HC97 1/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 1/20 0.31
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9642854 0.87 ALDH1A1 (0.41) MAPTALDH1A1HPGDTSHRPOLB
SCHEMBL6137459 0.87 MAPT (0.40) MAPTALDH1A1HPGDTSHRPOLB
Hydrochloric Acid SCHEMBL6137451 0.85 MAPT (0.39) MAPTALDH1A1HPGDTSHRPOLB
SCHEMBL975710 0.78 MAPT (0.60) MAPTALDH1A1HPGDTSHRPOLB
SCHEMBL5559263 0.77 MAPT (0.39) MAPTALDH1A1HPGDTSHRPOLB
SCHEMBL8043892 0.77 MAPT (0.38) MAPTALDH1A1POLBSMN1; SMN2GRIA2
SCHEMBL9643819 0.76 MAPT (0.40) MAPTALDH1A1HPGDTSHRPOLB
SCHEMBL1778181 0.76 ALDH1A1 (0.55) MAPTALDH1A1HPGDTSHRPOLB
SCHEMBL5521979 0.76 ALDH1A1 (0.37) ALDH1A1HPGDTSHRPOLBSMN1; SMN2
SCHEMBL301204 0.76 ALDH1A1 (0.55) ALDH1A1HPGDTSHRPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 US disclosed
US-5136042-A PROCESS FOR THE PREPARATION OF THIAZOLECARBOXYLIC ACID CHLORIDES MITSUI TOATSU CHEMICALS, INC. (JP) 1992-08-04 US disclosed
EP-0377750-A1 PROCESS FOR PREPARING THIAZOLECARBOXYLIC ACID CHLORIDES MITSUI CHEMICALS, INC. (JP) 1990-07-18 EP 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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS POLI, POLB, POLA1 MAPT 2190/4885ALDH1A1 2042/4885HPGD 563/4885

“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.