SCHEMBL7575384

SCHEMBL7575384

O=C(NCC1Cc2c(sc(NC3CCCCO3)c2C(=O)O)CN1)c1cccc(O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.36
TP53 P04637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 5/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 2/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
NPC1 O15118 3/20 0.35
MAPT P10636 2/20 0.34
RAB7A P51149 1/20 0.33
NOD1 Q9Y239 1/20 0.33

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
SCHEMBL7701502 0.92 HPGD (0.43) POLBTP53KDM4EALDH1A1TSHR
SCHEMBL7699460 0.86 NPC1 (0.48) POLBKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7582515 0.86 HPGD (0.37) POLBKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7700382 0.84 ALDH1A1 (0.37) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL7699527 0.84 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL7698367 0.84 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL7520917 0.82 PTPN1 (0.42) POLBTP53ALDH1A1SMN1; SMN2HPGD
SCHEMBL7580060 0.78 HDAC1 (0.38) POLBKDM4EALDH1A1HSD17B10HPGD
SCHEMBL7155233 0.76 SMN1; SMN2 (0.56) POLBTP53KDM4EALDH1A1TSHR
SCHEMBL7564276 0.76 CYP1A2 (0.39) KDM4EALDH1A1TSHRHSD17B10HPGD

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-20020099073-A1 Modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2002-07-25 US claimed

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-20020099073-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPN1, PTPRO, PTPRS POLB 4423/4885TP53 2964/4885KDM4E 1221/4885

“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.