SCHEMBL2435477

SCHEMBL2435477

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nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 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
SCHEMBL22152235 0.84 MAPK1 (0.35) MAPK1NPSR1KDM4EMAPTTHRB
SCHEMBL28657275 0.84 MAPK1 (0.35) MAPK1NPSR1KDM4EMAPTTHRB
SCHEMBL26097774 0.83 MAPK1 (0.36) MAPK1NPSR1KDM4EMAPTTHRB
SCHEMBL8240722 0.80 NPSR1 (0.33) HSD17B10NPSR1
SCHEMBL10299133 0.80 NPSR1 (0.33) HSD17B10NPSR1
SCHEMBL628012 0.80 NPSR1 (0.33) HSD17B10NPSR1
SCHEMBL3731484 0.80 NPSR1 (0.33) HSD17B10NPSR1
SCHEMBL10298837 0.78 NPSR1 (0.32) HSD17B10NPSR1
SCHEMBL2433549 0.77 MAPK1 (0.36) MAPK1NPSR1MAPT
SCHEMBL2435499 0.75 CRBN (0.32) MAPT

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-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 EP disclosed
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 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 (2 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-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 MAPK1 3015/4885HSD17B10 594/4885NPSR1 3014/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP MAPK1 3507/4885HSD17B10 913/4885NPSR1 4034/4885

“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.