SCHEMBL8169778

SCHEMBL8169778

COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
MMP2 P08253 2/20 0.39
ANPEP P15144 2/20 0.39
PEPD P12955 2/20 0.38
CYP3A4 P08684 3/20 0.37
XPNPEP1 Q9NQW7 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
PIK3CD O00329 1/20 0.35
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
CYP2C9 P11712 2/20 0.33
NR1I2 O75469 1/20 0.33
ABCB11 O95342 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
CASP1 P29466 1/20 0.33
ATM Q13315 1/20 0.33
EPHX1 P07099 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
SCHEMBL12098413 0.87 ALDH1A1 (0.47) ALDH1A1MMP2ANPEPPEPDCYP3A4
SCHEMBL1440998 0.87 ALDH1A1 (0.47) ALDH1A1MMP2ANPEPPEPDCYP3A4
SCHEMBL12098416 0.87 ALDH1A1 (0.47) ALDH1A1MMP2ANPEPPEPDCYP3A4
SCHEMBL19318679 0.87 ALDH1A1 (0.47) ALDH1A1MMP2ANPEPPEPDCYP3A4
SCHEMBL11947498 0.85 ALDH1A1 (0.48) ALDH1A1MMP2ANPEP
SCHEMBL8062037 0.85 ALDH1A1 (0.48) ALDH1A1MMP2ANPEP
SCHEMBL1166871 0.85 ALDH1A1 (0.48) ALDH1A1MMP2ANPEP
SCHEMBL8169782 0.82 DPP4 (0.43) PEPDCYP3A4XPNPEP1DPP4DPP8
SCHEMBL8200085 0.82 ALDH1A1 (0.47) ALDH1A1MMP2ANPEPPEPDXPNPEP1
SCHEMBL4448935 0.81 CTSL (0.44) ALDH1A1MMP2ANPEPPEPD

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-20080207528-A1 Administering derivatives of 4-(3-pyrrolidinyloxy)quinoline TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-08-28 US disclosed
US-20080207528-A1 Administering derivatives of 4-(3-pyrrolidinyloxy)quinoline TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-08-28 US disclosed
WO-2008095058-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO. LTD. (TW) 2008-08-07 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-20080207528-A1 Administering derivatives of 4-(3-pyrrolidinyloxy)quinoline GLS2, SLC10A1, UGT1A1 ALDH1A1 217/4885MMP2 4377/4885ANPEP 1036/4885

“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.