SCHEMBL1127403

SCHEMBL1127403

CCCCn1c(C)c(C(=O)O)c(-c2ccccc2)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 1/20 0.46
PTGES O14684 1/20 0.44
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.43
AR P10275 2/20 0.43
MAPT P10636 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA4 P48058 1/20 0.42

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
SCHEMBL1127427 0.92 KDM4E (0.45) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL15162395 0.89 TSHR (0.53) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL1988958 0.85 KDM4E (0.49) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL1126728 0.85 AR (0.44) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL1127128 0.83 AR (0.41) MEN1KMT2AKDM4EHSD17B10PTGES
SCHEMBL1127111 0.83 KDM4E (0.45) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL1127239 0.82 AR (0.42) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL1127384 0.82 AR (0.46) MEN1KMT2ATSHRALDH1A1HSD17B10
SCHEMBL1126553 0.82 TSHR (0.55) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL1127125 0.80 HPGD (0.54) MEN1KMT2ATSHRALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 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 (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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MEN1 77/4885KMT2A 3996/4885TSHR 1769/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MEN1 77/4885KMT2A 3996/4885TSHR 1769/4885

“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.