SCHEMBL9112735

SCHEMBL9112735

O=C1C[C@H](C(=O)O)[C@H](C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.48
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GRM4 Q14833 4/20 0.35
CYP2C19 P33261 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP1A2 P05177 1/20 0.35
GRM8 O00222 1/20 0.35
GRM6 O15303 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
GABRR2 P28476 1/20 0.35
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
SLC1A2 P43004 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
SCHEMBL2371475 1.00 GABRR1 (0.48) GABRR1ALDH1A1LMNAPOLBMEN1
SCHEMBL2370535 1.00 GABRR1 (0.48) GABRR1ALDH1A1LMNAPOLBMEN1
SCHEMBL2371471 1.00 GABRR1 (0.48) GABRR1ALDH1A1LMNAPOLBMEN1
SCHEMBL19526286 1.00 GABRR1 (0.48) GABRR1ALDH1A1LMNAPOLBMEN1
SCHEMBL2371479 1.00 GABRR1 (0.48) GABRR1ALDH1A1LMNAPOLBMEN1
SCHEMBL28046282 0.87 GABRR1 (0.44) GABRR1ALDH1A1LMNAPOLBMEN1
SCHEMBL14821724 0.87 GABRR1 (0.39) GABRR1ALDH1A1LMNAPOLBMEN1
SCHEMBL12855800 0.87 MEN1 (0.39) GABRR1ALDH1A1LMNAPOLBMEN1
Hydrochloric Acid SCHEMBL9114749 0.82 GABRR1 (0.50) GABRR1ALDH1A1POLBMEN1KMT2A
SCHEMBL7280473 0.82 POLB (0.39) GABRR1ALDH1A1LMNAPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10172846-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2019-01-08 US disclosed
US-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-07-13 US disclosed
WO-1995007022-A1 FUNGICIDES ZENECA LIMITED (GB) 1995-03-16 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 (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-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS HPN, CPN1, PRSS1 GABRR1 4235/4885ALDH1A1 4292/4885LMNA 3989/4885
US-10172846-B2 HCV NS-3 serine protease inhibitors HPN, CPN1, PRSS1 GABRR1 4235/4885ALDH1A1 4292/4885LMNA 3989/4885

“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.