SCHEMBL3390620

SCHEMBL3390620

Cc1nc2c3c(ccc2o1)NC(CC(=O)O)=NS3(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 1/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ELANE P08246 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL3390616 0.89 RAB9A (0.31) ALDH1A1RAB9AGAA
SCHEMBL3393400 0.75 ALDH1A1 (0.44) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL3391681 0.71 ALDH1A1 (0.36) ALDH1A1GAAKDM4EHPGD
SCHEMBL14338091 0.69 ALDH1A1 (0.47) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL6690666 0.69 ALDH1A1 (0.42) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL390919 0.66 ALDH1A1 (0.65) ALDH1A1MEN1KMT2A
SCHEMBL3389367 0.65 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL3393407 0.64 KDM4E (0.40) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL13712963 0.64 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3392351 0.64 MAPT (0.46) ALDH1A1KDM4EMEN1KMT2A

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
EP-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 EP disclosed
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 US disclosed
US-20040167123-A1 Anti-infective agents ABBVIE INC. 2004-08-26 US disclosed
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 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 (3 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-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB ALDH1A1 1434/4885RAB9A 2572/4885GAA 172/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 ALDH1A1 891/4885RAB9A 2546/4885GAA 494/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT ALDH1A1 1592/4885RAB9A 2459/4885GAA 167/4885

“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.