SCHEMBL799129

SCHEMBL799129

CC(C)c1ccc(F)c(S(C)(=O)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.40
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.38
CCR2 P41597 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CNR2 P34972 2/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR1 P21554 2/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 2/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
ADRB2 P07550 1/20 0.35
RNASEH1 O60930 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL11993144 0.85 CCR2 (0.41) KAT6ACCR2SMN1; SMN2LMNAADRB2
SCHEMBL14200039 0.83 ALDH1A1 (0.40) KAT6AMAPTTP53ALDH1A1POLB
SCHEMBL11951611 0.78 SLC9A1 (0.50) ALDH1A1POLBSMN1; SMN2TSHRLMNA
SCHEMBL19574253 0.78 LMNA (0.50) MAPTALDH1A1POLBSMN1; SMN2TSHR
SCHEMBL16368596 0.78 CNR1 (0.45) KAT6AMAPTTP53ALDH1A1POLB
SCHEMBL10962414 0.77 RNASEH1 (0.52) MAPTTP53ALDH1A1SMN1; SMN2TSHR
SCHEMBL48556 0.76 NR1H2 (0.34) MAPTTP53CCR2ALDH1A1CNR1
SCHEMBL5097716 0.75 CCR2 (0.49) CCR2SMN1; SMN2PTGS2
SCHEMBL10407713 0.74 FABP4 (0.46) ALDH1A1SMN1; SMN2LMNARNASEH1
SCHEMBL11951547 0.74 L3MBTL1 (0.55) ALDH1A1SMN1; SMN2LMNARNASEH1PTGS2

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-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20160200674-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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-20160200674-A1 IDO INHIBITORS IDO1, IDO2, INMT KAT6A 696/4885MAPT 2351/4885TP53 540/4885
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 KAT6A 1965/4885MAPT 2574/4885TP53 271/4885

“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.