SCHEMBL4778248

SCHEMBL4778248

CC(=O)C(Cc1ccc(F)c(Cl)c1)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.47
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MDM2 Q00987 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
CNR2 P34972 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC2A1 P11166 1/20 0.42
RPA1 P27694 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL4437987 0.88 PPARG (0.49) PIK3CALMNATSHRKDM4EMDM2
SCHEMBL14032994 0.84 PTPRB (0.47) PIK3CALMNATSHRKDM4EMEN1
SCHEMBL9862549 0.80 SLC7A5 (0.57) LMNAKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL30510315 0.80 SLC7A5 (0.57) LMNAKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9862545 0.80 SLC7A5 (0.57) LMNAKDM4EMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL27478678 0.79 SLC7A5 (0.55) KDM4ESMN1; SMN2ALDH1A1ALOX15
SCHEMBL4779923 0.79 P2RX7 (0.44) MDM2
Hydrochloric Acid SCHEMBL27477387 0.79 SLC7A5 (0.55) KDM4ESMN1; SMN2ALDH1A1ALOX15
SCHEMBL28747785 0.79 PNMT (0.46) PIK3CALMNATSHRKDM4EMEN1
SCHEMBL1699595 0.79 PIK3CA (0.56) PIK3CALMNATSHRKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221129-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-09-11 US disclosed
WO-2008003753-A1 PYRAZOLO [1,5-A] PYRIMIDINE ANALOGS FOR USE AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) ACTIVITY BIOVITRUM AB (PUBL) (SE) 2008-01-10 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-20080221129-A1 New compounds SCD, SCD5, FASN PIK3CA 1892/4885LMNA 2075/4885TSHR 2563/4885

“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.