SCHEMBL4183247

SCHEMBL4183247

CC[C@H](C)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NCC1CN(S(=O)(=O)c2ccccc2)CCO1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
UTS2R Q9UKP6 1/20 0.41
CCR1 P32246 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
LMNA P02545 2/20 0.40
RAB9A P51151 1/20 0.40
CTSK P43235 6/20 0.39
TACR2 P21452 2/20 0.39
NPY5R Q15761 1/20 0.39
KMT2A Q03164 1/20 0.39
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
NAMPT P43490 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL4180771 0.94 CCR1 (0.47) GAATSHRUTS2RCCR1CTSB
SCHEMBL4178278 0.88 CTSB (0.40) GAATSHRUTS2RCCR1CTSB
SCHEMBL4180985 0.88 TRPV4 (0.46) UTS2RCCR1CTSBCTSSCTSK
SCHEMBL4194752 0.88 CTSK (0.51) UTS2RCTSBCTSSRAB9ACTSK
SCHEMBL4185654 0.87 UTS2R (0.52) UTS2RCTSBCTSSCTSKTACR2
SCHEMBL4181100 0.87 UTS2R (0.52) UTS2RCTSBCTSSCTSKTACR2
SCHEMBL4182999 0.87 UTS2R (0.52) UTS2RCTSBCTSSCTSKTACR2
SCHEMBL4180981 0.87 UTS2R (0.52) UTS2RCTSBCTSSCTSKTACR2
SCHEMBL4185754 0.87 CTSK (0.46) UTS2RCTSBCTSSRAB9ACTSK
SCHEMBL4181435 0.84 CCR1 (0.46) GAATSHRUTS2RCCR1CTSB

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-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 US claimed
US-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 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 (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-20090124619-A1 NOVEL COMPOUNDS TRPV4, TRPC4, TRPV1 GAA 4234/4885TSHR 1343/4885UTS2R 391/4885

“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.