SCHEMBL3725536

SCHEMBL3725536

O=C(Nc1nnc(Cc2cc(Cl)ccc2C(F)(F)F)s1)c1ccc2c(c1)CCNC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
CASP6 P55212 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SLC2A1 P11166 1/20 0.40
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
KLKB1 P03952 1/20 0.39
PRSS1 P07477 1/20 0.39
POLB P06746 2/20 0.39

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
Hydrochloric Acid SCHEMBL3728339 0.99 PTGER1 (0.44) PTGER1TAS1R3TAS1R1TAS1R2L3MBTL1
SCHEMBL3727614 0.89 PTGER1 (0.43) PTGER1TAS1R3TAS1R1TAS1R2L3MBTL1
SCHEMBL3737330 0.89 PTPN1 (0.43) MEN1KMT2ALMNAMAPTNPC1
Hydrochloric Acid SCHEMBL3729498 0.88 PTPN1 (0.42) MEN1KMT2ALMNAMAPTNPC1
Hydrochloric Acid SCHEMBL3728775 0.88 PTGER1 (0.44) PTGER1TAS1R3TAS1R1TAS1R2L3MBTL1
SCHEMBL3729661 0.87 MELK (0.43) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL3729161 0.87 KMT2A (0.47) PTGER1L3MBTL1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL3734505 0.87 MELK (0.42) TAS1R3TAS1R1TAS1R2MEN1KMT2A
Hydrochloric Acid SCHEMBL3729889 0.86 KMT2A (0.46) PTGER1L3MBTL1MEN1KMT2ALMNA
SCHEMBL3737875 0.84 L3MBTL1 (0.59) L3MBTL1MEN1KMT2AMAPTNPC1

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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 US claimed
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 US disclosed
EP-2125799-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE Smithkline Beecham Corporation (US) 2009-12-02 EP disclosed
WO-2008104524-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2008-09-04 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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 PTGER1 923/4885TAS1R3 1196/4885TAS1R1 1466/4885

“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.