SCHEMBL2170471

SCHEMBL2170471

CC(C(=O)O)c1ccc(NC(N)=S)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.54
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50
TYR P14679 1/20 0.50
TAS2R38 P59533 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTGS2 P35354 5/20 0.49
KIF11 P52732 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTGS1 P23219 4/20 0.46
CYP2C9 P11712 3/20 0.46
LMNA P02545 2/20 0.46
AKR1C3 P42330 2/20 0.46
CXCR1 P25024 2/20 0.46
CXCR2 P25025 2/20 0.46
ALB P02768 1/20 0.46

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
SCHEMBL2815572 1.00 NR1H4 (0.54) NR1H4ALDH1A1TSHRTP53TYR
SCHEMBL2172516 0.86 KIF11 (0.64) NR1H4ALDH1A1TSHRPTGS2KIF11
SCHEMBL2818448 0.86 KIF11 (0.64) NR1H4ALDH1A1TSHRPTGS2KIF11
SCHEMBL262073 0.83 ALDH1A1 (0.47) ALDH1A1TSHRTP53TYRTAS2R38
SCHEMBL2171946 0.83 ALDH1A1 (0.47) ALDH1A1TSHRTP53TYRTAS2R38
SCHEMBL2170844 0.83 ALDH1A1 (0.47) ALDH1A1TSHRTP53TYRTAS2R38
SCHEMBL4109704 0.83 NR1H4 (0.54) NR1H4ALDH1A1TSHRPTGS2KIF11
SCHEMBL7479983 0.82 NR1H4 (0.59) NR1H4ALDH1A1TSHRPTGS2KIF11
SCHEMBL11576346 0.81 ALDH1A1 (0.52) ALDH1A1TSHRTP53TYRTAS2R38
SCHEMBL9823526 0.80 POLB (0.58) NR1H4ALDH1A1TSHRHSD17B10PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346841-B1 2-ARYL-PROPIONIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPÉ S P A (IT) 2015-01-14 EP disclosed
US-8624036-B2 2-aryl-propionic acids and derivatives and pharmaceutical compositions containing them DOMPE S.P.A. (IT) 2014-01-07 US disclosed
US-20110207785-A1 2-Aryl-Propionic Acids and Derivatives and Pharmaceutical Compositions Containing Them DOMPE S.P.A. (IT) 2011-08-25 US disclosed
EP-2346841-A2 2-ARYL-PROPIONIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompe S.p.A. (IT) 2011-07-27 EP disclosed
WO-2010031835-A2 2-ARYL-PROPIONIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' S.P.A. (IT) 2010-03-25 WO disclosed
EP-2166006-A1 2-aryl-propionic acids and derivatives and pharmaceutical compositions containing them Dompe' S.P.A. (IT) 2010-03-24 EP 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-20110207785-A1 2-Aryl-Propionic Acids and Derivatives and Pharmaceutical Compositions Containing Them CXCR3, F2RL1, FPR2 NR1H4 227/4885ALDH1A1 1221/4885TSHR 2635/4885

“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.