SCHEMBL13952182

SCHEMBL13952182

CCc1ccc(C2CC=C(C(C)=O)S2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 3/20 0.35
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 2/20 0.34
GFER P55789 1/20 0.34
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PLK1 P53350 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
ALOX12 P18054 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33
CCR1 P32246 1/20 0.32
CCR2 P41597 1/20 0.32

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
SCHEMBL13618750 0.67 ALDH1A1 (0.36) ALDH1A1MAPTHTTSMN1; SMN2NPC1
Acetic Acid SCHEMBL30839310 0.63 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2RAB9APLK1S1PR1
SCHEMBL334751 0.62 KMT2A (0.70) ALDH1A1MAPTSMN1; SMN2RAB9AHPGD
Acetamide SCHEMBL27414047 0.61 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2RAB9AHPGDPLK1
SCHEMBL13857268 0.61 ALDH1A1 (0.44) ALDH1A1MAPTHTTSMN1; SMN2NPC1
SCHEMBL10265073 0.61 NPC1 (0.49) ALDH1A1MAPTHTTSMN1; SMN2NPC1
Bicarbonate SCHEMBL29051240 0.61 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2RAB9APLK1
Bicarbonate SCHEMBL9816065 0.61 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2RAB9APLK1
SCHEMBL8726682 0.59 CYP2C9 (0.47) ALDH1A1MAPTSMN1; SMN2NPC1MAPK1
SCHEMBL10267695 0.59 FFAR1 (0.55) ALDH1A1

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-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof TEIJIN PHARMA LIMITED (JP) 2009-02-26 US disclosed
US-7473694-B2 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2009-01-06 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-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 ALDH1A1 2911/4885MAPT 2612/4885HTT 4435/4885

“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.