SCHEMBL3678342

SCHEMBL3678342

CC[C@@H](C(=O)O)N(Cc1ccco1)C(=O)n1ccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.43
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
NPSR1 Q6W5P4 5/20 0.39
MAPT P10636 3/20 0.39
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 2/20 0.36
RIPK1 Q13546 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LIPE Q05469 1/20 0.35

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
SCHEMBL3678339 1.00 TSHR (0.43) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28641743 0.88 TSHR (0.36) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10916594 0.82 TSHR (0.41) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
Pefurazoate SCHEMBL20067 0.81 MAPT (0.35) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
(R)-(+)-Pefurazoate SCHEMBL8163178 0.81 MAPT (0.35) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
Pefurazoate SCHEMBL27797684 0.81 MAPT (0.35) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10338580 0.81 TSHR (0.38) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20111609 0.79 LIPE (0.48) TSHRCYP1A2CYP3A4CYP2C19NPSR1
SCHEMBL9815289 0.78 TSHR (0.36) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
Pefurazoate SCHEMBL28180407 0.76 MAPT (0.32) TSHRCYP1A2CYP3A4CYP2C9CYP2C19

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-20100255116-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING NOXIOUS FUNGI ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-10-07 US claimed
EP-2205096-B1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING NOXIOUS FUNGI ISHIHARA SANGYO KAISHA (JP) 2017-04-12 EP disclosed
US-8568755-B2 Fungicidal composition and method for controlling noxious fungi ISHIHARA SANGYO KAISHA, LTD. (JP) 2013-10-29 US disclosed
US-20100255116-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING NOXIOUS FUNGI ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-10-07 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-20100255116-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING NOXIOUS FUNGI DPM1, ETF1, GABBR1 TSHR 3534/4885CYP1A2 886/4885CYP3A4 1197/4885

“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.