SCHEMBL16005244

SCHEMBL16005244

N#CCSc1cc(F)c(F)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.36
IDO1 P14902 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL16005030 0.81 LMNA (0.32) ALDH1A1HPGD
SCHEMBL20384352 0.70 IDO1 (0.43) IDO1KDM4EALDH1A1KMT2AMEN1
SCHEMBL7960671 0.69 RXFP1 (0.41) HTR2AIDO1CA12CA1CA2
SCHEMBL15916767 0.68 HTR7 (0.47) CA12CA1CA2CA9CA14
SCHEMBL7841622 0.67 HTR2A (0.38) HTR2ACA12CA1CA2CA9
SCHEMBL16227245 0.67 IDO1 (0.38) IDO1KDM4EALDH1A1
SCHEMBL16004957 0.66 ALOX15 (0.31)
SCHEMBL3366188 0.65 CSNK2A1 (0.42)
SCHEMBL3833998 0.65 PDE10A (0.41) HTR2AIDO1KDM4EALDH1A1GLA
SCHEMBL7826507 0.63 SLC6A2 (0.43) HTR2ACA12CA1CA2CA9

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-20160137633-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES AJINOMOTO CO., INC. (JP) 2016-05-19 US disclosed
US-9290487-B2 Pharmaceutical composition for treating diabetes AJINOMOTO CO., INC. (JP) 2016-03-22 US disclosed
US-20140336376-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES AJINOMOTO CO., INC. (JP) 2014-11-13 US disclosed
EP-2774917-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES Ajinomoto Co., Inc. (JP) 2014-09-10 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 (2 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-20140336376-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES PPARG, GPR119, GYS2 HTR2A 1553/4885IDO1 4199/4885CA12 3205/4885
US-20160137633-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES PPARG, GPR119, GYS2 HTR2A 1553/4885IDO1 4199/4885CA12 3205/4885

“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.