SCHEMBL18093552

SCHEMBL18093552

CCOC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.43
FAP Q12884 1/20 0.42
HTR4 Q13639 2/20 0.40
GBA1 P04062 1/20 0.40
EPHX2 P34913 1/20 0.40
POLB P06746 1/20 0.39
EDNRA P25101 1/20 0.38
TGM2 P21980 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL18093554 1.00 PREP (0.43) PREPFAPHTR4GBA1EPHX2
SCHEMBL9226973 0.82 PREP (0.52) PREPHTR4GBA1EPHX2EDNRA
SCHEMBL7292745 0.81 PREP (0.49) PREPHTR4GBA1EPHX2HDAC4
Hydrochloric Acid SCHEMBL7296249 0.81 PREP (0.52) PREPHTR4GBA1EPHX2TGM2
Hydrochloric Acid SCHEMBL7296408 0.81 PREP (0.52) PREPHTR4GBA1EPHX2TGM2
Hydrochloric Acid SCHEMBL7303396 0.72 PREP (0.40) PREP
Hydrochloric Acid SCHEMBL7296222 0.72 PREP (0.40) PREP
SCHEMBL29596119 0.72 TSHR (0.42) PREPFAPPOLB
SCHEMBL7295354 0.71 TGM2 (0.50) PREPFAPTGM2
SCHEMBL23659223 0.69 CYP3A4 (0.52) FAP

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-9809586-B2 Inhibitors of collagen prolyl 4-hydroxylase WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2017-11-07 US disclosed
WO-2016160706-A1 INHIBITORS OF COLLAGEN PROLYL 4-HYDROXYLASE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-10-06 WO disclosed
US-20160280701-A1 INHIBITORS OF COLLAGEN PROLYL 4-HYDROXYLASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-29 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 (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-20160280701-A1 INHIBITORS OF COLLAGEN PROLYL 4-HYDROXYLASE P4HA1, EGLN3, P4HTM PREP 141/4885FAP 1167/4885HTR4 720/4885

“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.