SCHEMBL15092154

SCHEMBL15092154

O=C(O)Cc1cc(F)c(F)c(F)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.41
CXCL8 P10145 2/20 0.39
MCL1 Q07820 1/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 3/20 0.37
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN11 Q06124 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
GRB2 P62993 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
NFKB1 P19838 2/20 0.34
PMP22 Q01453 2/20 0.34

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
SCHEMBL30428405 0.83 CXCL8 (0.41) AKR1B1CXCL8MCL1POLBMEN1
SCHEMBL7249684 0.83 CXCL8 (0.41) AKR1B1CXCL8MCL1POLBMEN1
SCHEMBL3416130 0.78 PTGS1 (0.44) CXCL8POLBMEN1KMT2ATSHR
SCHEMBL3150817 0.76 AKR1B1 (0.45) AKR1B1CXCL8TSHRDUSP3PTPN5
SCHEMBL11520128 0.76 CD274 (0.38) AKR1B1CXCL8MCL1TSHRCES2
SCHEMBL5062588 0.74 PTGS1 (0.40) CXCL8POLBMEN1KMT2ATSHR
SCHEMBL30940420 0.74 AKR1B1 (0.52) AKR1B1MCL1POLBMEN1KMT2A
SCHEMBL332576 0.74 CXCL8 (0.43) AKR1B1CXCL8POLBMEN1KMT2A
SCHEMBL29362137 0.74 CXCL8 (0.43) AKR1B1CXCL8POLBMEN1KMT2A
SCHEMBL869863 0.73 RIPK1 (0.47) AKR1B1CXCL8TSHRCES2CES1

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-8901309-B2 Fused triazoles for the treatment or prophylaxis of mild cognitive impairment TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-02 US disclosed
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-27 US disclosed
US-8822699-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 US disclosed
US-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-11 US 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-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT BACE1, BACE2, APP AKR1B1 2808/4885CXCL8 4006/4885MCL1 2110/4885
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, BACE2, APP AKR1B1 2801/4885CXCL8 3038/4885MCL1 927/4885

“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.