SCHEMBL3564957

SCHEMBL3564957

Cc1ccccc1C(C(=O)Nc1ccc(C(=O)N2CCSC2)cc1)N(C(N)=O)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 1/20 0.40
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
NAMPT P43490 1/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
DPP4 P27487 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
EPHX2 P34913 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
MGLL Q99685 1/20 0.34
RAB9A P51151 1/20 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
SCHEMBL3559217 0.89 ALDH1A1 (0.46) ALDH1A1HPGDUBE2MDCUN1D1NAMPT
SCHEMBL3563838 0.85 ALDH1A1 (0.42) ALDH1A1HPGDMAPTSMN1; SMN2EPHX2
SCHEMBL5813906 0.81 ALDH1A1 (0.44) ALDH1A1HSD17B10MAPTSMN1; SMN2CNR1
SCHEMBL3564959 0.80 HPGD (0.46) ALDH1A1HPGDHSD17B10UBE2MDCUN1D1
SCHEMBL3568352 0.76 F10 (0.42) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL3557869 0.76 EP300 (0.46) ALDH1A1MAPTSMN1; SMN2GAAKMT2A
SCHEMBL3564003 0.75 FFAR2 (0.39) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL3574055 0.74 F10 (0.56) F10
SCHEMBL3562244 0.72 PCTP (0.35) ALDH1A1MAPTCNR1MEN1GAA
SCHEMBL3557436 0.72 PPARG (0.38) ALDH1A1HSD17B10MAPTSMN1; SMN2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US claimed
US-20060160821-A1 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US claimed
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-20060160821-A1 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
WO-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 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-20060160821-A1 Ureas as factor Xa inhibitors TFPI, F12, F11 ALDH1A1 1143/4885HPGD 441/4885HSD17B10 1478/4885

“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.