SCHEMBL3943354

SCHEMBL3943354

O=C(O)C1=Cn2c(cc3ccc(C(=O)O)cc32)-c2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.48
SRD5A1 P18405 2/20 0.42
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
ACLY P53396 2/20 0.35
TTR P02766 1/20 0.35
PTPRC P08575 2/20 0.35
TDP2 O95551 1/20 0.34
KDM4A O75164 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
FGFR1 P11362 1/20 0.33
TBXA2R P21731 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 2/20 0.32

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
SCHEMBL5329442 0.92 SRD5A2 (0.39) SRD5A2SRD5A1FGFR1
SCHEMBL241854 0.87 SRD5A2 (0.39) SRD5A2SRD5A1ALDH1A1HPGDKMT2A
SCHEMBL3945086 0.85 RPS6KA3 (0.40) SRD5A2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL3244153 0.80 SRD5A2 (0.43) SRD5A2SRD5A1ALDH1A1HPGDPOLB
SCHEMBL3236134 0.75 KMT2A (0.38) SRD5A2SRD5A1ALDH1A1HPGDPOLB
SCHEMBL3574670 0.72 SRD5A2 (0.50) SRD5A2SRD5A1ALDH1A1
SCHEMBL3092044 0.71 RPS6KA2 (0.43) SRD5A2SRD5A1
SCHEMBL3080181 0.71 SRD5A2 (0.40) SRD5A2SRD5A1ALDH1A1HPGDPOLB
SCHEMBL3896716 0.71 PRKCA (0.46) SRD5A2SRD5A1ALDH1A1HPGDCYP1A2
SCHEMBL3075059 0.70 TBXA2R (0.36) SRD5A2SRD5A1ALDH1A1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473688-B2 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 US disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
WO-2007033175-A1 INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-22 WO disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 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-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors HTR3C, IDO1, HTR3B SRD5A2 1318/4885SRD5A1 1306/4885ALDH1A1 1054/4885
US-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 SRD5A2 1662/4885SRD5A1 990/4885ALDH1A1 920/4885

“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.