SCHEMBL17680451

SCHEMBL17680451

CC(C)c1nnc(CNCc2cc(C(=O)O)cc(CO)n2)n1Cc1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 1/20 0.38
▸ AGTR1 P30556 2/20 0.37
▸ AGTR2 P50052 2/20 0.37
▸ PDE6D O43924 2/20 0.36
▸ GRM2 Q14416 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ PTGER4 P35408 2/20 0.34
▸ ENPP2 Q13822 2/20 0.34
▸ TP53 P04637 3/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GHSR Q92847 1/20 0.34
▸ POLB P06746 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
SCHEMBL17544838 0.94 AGTR1 (0.36) GNRHRAGTR1AGTR2PDE6DPIK3CA
SCHEMBL17683831 0.91 MMP13 (0.40) GNRHRAGTR1AGTR2PDE6DPIK3CA
SCHEMBL17544819 0.88 PDE6D (0.40) AGTR1AGTR2PDE6DPIK3CAMMP13
SCHEMBL17544604 0.88 PDE6D (0.42) AGTR1AGTR2PDE6DPIK3CAMMP13
SCHEMBL17544639 0.86 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL17544553 0.84 MMP13 (0.40) GNRHRAGTR1AGTR2PDE6DPIK3CA
SCHEMBL17670468 0.82 PIK3CA (0.39) AGTR1AGTR2PIK3CAMMP13TP53
SCHEMBL17544589 0.81 PPARA (0.38) AGTR1AGTR2PIK3CAMMP13PTGER4
SCHEMBL17544998 0.80 ALDH1A1 (0.41) TP53MAPTPOLB
SCHEMBL17544407 0.80 AGTR1 (0.44) AGTR1AGTR2TP53P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — 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-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 GNRHR 2787/4885AGTR1 2794/4885AGTR2 3216/4885

“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.

Send feedback