SCHEMBL14218016

SCHEMBL14218016

Cc1ccsc1NC(=O)CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 5/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ADORA2A P29274 1/20 0.47
NPSR1 Q6W5P4 4/20 0.45
HPGD P15428 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
GFER P55789 1/20 0.45
F2R P25116 1/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.43
TP53 P04637 2/20 0.42

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
SCHEMBL5067464 0.80 PTPN2 (0.58) PTPN1SMN1; SMN2LMNAKDM4EADORA2A
SCHEMBL8090363 0.79 MAPT (0.43) ALDH1A1HPGDRAB9ANPC1MAPT
SCHEMBL5063495 0.78 KMT2A (0.64) SMN1; SMN2ALDH1A1KDM4ETDP1RAB9A
SCHEMBL5049650 0.77 PKM (0.45) SMN1; SMN2KDM4EHPGDRAB9ANPC1
SCHEMBL6857304 0.77 PTPN2 (0.48) SMN1; SMN2KDM4EHPGDRAB9ANPC1
SCHEMBL11820171 0.76 GSK3B (0.46) SMN1; SMN2ALDH1A1LMNANPSR1HPGD
SCHEMBL12213152 0.76 PTK2 (0.59) SMN1; SMN2ALDH1A1HPGDTDP1RAB9A
SCHEMBL29515001 0.74 ALDH1A1 (0.55) PTPN1SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL765316 0.74 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1LMNAKDM4EHPGD
SCHEMBL11777129 0.74 GSK3B (0.43) SMN1; SMN2HPGDRAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080102068-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-05-01 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-20080102068-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIF18B PTPN1 3834/4885SMN1; SMN2 1919/4885ALDH1A1 2716/4885

“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.