SCHEMBL2818448

SCHEMBL2818448

C[C@@H](C(=O)O)c1ccc(NC(N)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.64
NR1H4 Q96RI1 1/20 0.56
MAPT P10636 2/20 0.56
GAA P10253 1/20 0.56
GFER P55789 1/20 0.56
GLA P06280 1/20 0.54
PEPD P12955 1/20 0.52
PTGS2 P35354 5/20 0.52
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 1/20 0.50
PTGS1 P23219 4/20 0.49
LMNA P02545 3/20 0.49
CYP2C9 P11712 2/20 0.49
AKR1C3 P42330 2/20 0.49
CXCR1 P25024 2/20 0.49
CXCR2 P25025 2/20 0.49
ALB P02768 1/20 0.49
ESR1 P03372 1/20 0.49
ALOX5 P09917 1/20 0.49
RARB P10826 1/20 0.49

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
SCHEMBL2172516 1.00 KIF11 (0.64) KIF11NR1H4MAPTGAAGFER
SCHEMBL2815572 0.86 NR1H4 (0.54) KIF11NR1H4MAPTGAAPTGS2
SCHEMBL4109704 0.86 NR1H4 (0.54) KIF11NR1H4MAPTGAAGFER
SCHEMBL2170471 0.86 NR1H4 (0.54) KIF11NR1H4MAPTGAAPTGS2
SCHEMBL7479983 0.85 NR1H4 (0.59) KIF11NR1H4MAPTGAAPTGS2
Ibuprofen SCHEMBL11678091 0.83 MAPT (0.70) KIF11MAPTGAAPEPDPTGS2
SCHEMBL9823526 0.83 POLB (0.58) NR1H4MAPTGAAPTGS2ALDH1A1
SCHEMBL5533028 0.82 KIF11 (0.89) KIF11MAPTGAAGFERGLA
SCHEMBL261230 0.82 KIF11 (0.60) KIF11MAPTGAAGFERGLA
SCHEMBL2170717 0.82 KIF11 (0.60) KIF11MAPTGAAGFERGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249198-A1 (R)-4-(HETEROARYL) PHENYLETHYL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE S.P.A (IT) 2010-09-30 US disclosed
EP-2201006-A1 (R)-4-(HETEROARYL) PHENYLETHYL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.p.a. (IT) 2010-06-30 EP disclosed
WO-2009050258-A1 (R)-4-(HETEROARYL) PHENYLETHYL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.p.A. (IT) 2009-04-23 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-20100249198-A1 (R)-4-(HETEROARYL) PHENYLETHYL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM C3AR1, C5AR2, C5AR1 KIF11 3713/4885NR1H4 55/4885MAPT 4486/4885

“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.