SCHEMBL2997256

SCHEMBL2997256

CCCCCSc1nc2c(c(=O)n1-c1ccc(OCC(F)(F)C(F)(F)F)cc1)CC(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.41
MAPT P10636 4/20 0.41
THRB P10828 2/20 0.41
TSHR P16473 3/20 0.40
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
FADS1 O60427 1/20 0.38
PDE11A Q9HCR9 2/20 0.35
PDE2A O00408 1/20 0.35
PDE1B Q01064 1/20 0.35
GAA P10253 1/20 0.35
APLNR P35414 1/20 0.34
PDE7A Q13946 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
CYP2C19 P33261 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
SCHEMBL2563812 0.94 TSHR (0.45) TP53MAPTTHRBTSHRKMT2A
SCHEMBL2566866 0.93 FADS1 (0.44) TP53MAPTTHRBTSHRKMT2A
SCHEMBL2563696 0.90 TSHR (0.43) TP53MAPTTSHRKMT2AMEN1
SCHEMBL2563697 0.87 TSHR (0.46) TP53MAPTTHRBTSHRKMT2A
SCHEMBL2567059 0.87 FADS1 (0.37) TP53TSHRKMT2AMEN1FADS1
SCHEMBL2561190 0.86 ALDH1A1 (0.41) MAPTTSHRKMT2AMEN1FADS1
SCHEMBL2998907 0.84 TSHR (0.39) TP53MAPTTSHRKMT2AMEN1
SCHEMBL2561536 0.84 PDE7A (0.37) TP53TSHRKMT2AFADS1GAA
SCHEMBL2563809 0.84 TSHR (0.44) MAPTTSHRKMT2AMEN1FADS1
SCHEMBL2566412 0.84 FADS1 (0.43) TP53MAPTTHRBTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283361-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2012-10-09 US disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-07-29 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-20100190747-A1 Fused ring compound and use thereof CYP46A1, LTB4R2, PTGES TP53 836/4885MAPT 2366/4885THRB 3538/4885
US-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 TP53 1641/4885MAPT 1350/4885THRB 3374/4885

“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.