SCHEMBL3203700

SCHEMBL3203700

C=CCNC(=O)c1cc(O)c(C(=O)OC)s1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
CYP3A4 P08684 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 3/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 6/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL13484494 0.85 RAB9A (0.39) PKMSMN1; SMN2CYP3A4MEN1KMT2A
SCHEMBL577650 0.77 MAPT (0.45) SMN1; SMN2CYP3A4KMT2ARAB9ANPC1
SCHEMBL577651 0.75 MAPT (0.44) CYP3A4MEN1KMT2AHPGDALDH1A1
SCHEMBL8928677 0.73 KMT2A (0.39) CYP3A4MEN1KMT2ANPC1HPGD
SCHEMBL17203079 0.72 GSK3B (0.52) SMN1; SMN2CYP3A4MEN1KMT2ARAB9A
SCHEMBL29997056 0.69 OPRD1 (0.39) SMN1; SMN2CYP3A4KMT2ARAB9ANPC1
SCHEMBL3259245 0.69 HDAC1 (0.51)
SCHEMBL19511280 0.68 ALDH1A1 (0.44) SMN1; SMN2CYP3A4RAB9ANPC1HPGD
SCHEMBL1561317 0.67 OPRD1 (0.43) SMN1; SMN2CYP3A4RAB9ANPC1HPGD
SCHEMBL12124284 0.67 KMT2A (0.61) PKMSMN1; SMN2MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029752-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME FAS SECURED CREDITORS HOLDCO, LLC 2010-02-04 US disclosed
US-20100029752-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME FAS SECURED CREDITORS HOLDCO, LLC 2010-02-04 US disclosed
US-20100029752-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME FAS SECURED CREDITORS HOLDCO, LLC 2010-02-04 US disclosed
WO-2007014249-A2 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME JOHNS HOPKINS UNIVERSITY (US) 2007-02-01 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-20100029752-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME CYP3A7, DHCR7, CYP2A7 PKM 4510/4885SMN1; SMN2 3730/4885CYP3A4 118/4885

“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.