SCHEMBL23896374

SCHEMBL23896374

CC(C)c1nc(Oc2ccc(C(=O)O)cc2)c2cc(O)ccc2c1-c1cncc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.40
RXRA P19793 1/20 0.38
NR4A2 P43354 1/20 0.38
CYP17A1 P05093 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PTGER2 P43116 1/20 0.36
EGLN2 Q96KS0 2/20 0.36
XDH P47989 2/20 0.35
CHEK1 O14757 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
AMY1A P0DUB6 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
SCHEMBL23888012 0.84 RXRA (0.42) PTGER4RXRANR4A2PTGER2LMNA
SCHEMBL23896376 0.80 RXRA (0.41) PTGER4RXRANR4A2LMNAAMY1A
SCHEMBL25544736 0.75 RXRA (0.43) PTGER4RXRANR4A2CYP3A4PTGER2
SCHEMBL23896305 0.74 THRA (0.39) RAB9A
SCHEMBL23896062 0.74 PPARG (0.42)
SCHEMBL25544003 0.73 MPL (0.35) LMNARAB9A
SCHEMBL23905458 0.73 PTGER4 (0.41) PTGER4RXRANR4A2PTGER2RAB9A
SCHEMBL25548845 0.71 HTT (0.38) LMNARAB9A
SCHEMBL23896096 0.71 GCGR (0.39) EGLN2
SCHEMBL23896286 0.70 GCGR (0.40)

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-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
WO-2021203028-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 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-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 PTGER4 3247/4885RXRA 1652/4885NR4A2 2277/4885

“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.