SCHEMBL1990335

SCHEMBL1990335

COCCCn1c(C)c(C(=O)OC)c(-c2ccccc2)c1C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.57
MAPK8 P45983 4/20 0.46
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 2/20 0.43
TRPV4 Q9HBA0 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL1126972 0.94 AR (0.56) ARMAPK8LMNATDP1ALDH1A1
SCHEMBL1126728 0.85 AR (0.44) ARTDP1ALDH1A1KMT2ATP53
SCHEMBL1126743 0.81 AR (0.49) ARLMNAALDH1A1KMT2ATP53
SCHEMBL1126643 0.81 TSHR (0.54) ARLMNATDP1ALDH1A1KMT2A
SCHEMBL16161726 0.80 AR (0.40) ARTDP1ALDH1A1KMT2ATP53
SCHEMBL3491860 0.78 TDP1 (0.44) ARLMNATDP1ALDH1A1KMT2A
SCHEMBL1127384 0.77 AR (0.46) ARLMNATDP1ALDH1A1KMT2A
SCHEMBL1126553 0.77 TSHR (0.55) ARLMNATDP1ALDH1A1KMT2A
SCHEMBL1994159 0.76 TSHR (0.54) ARLMNATDP1ALDH1A1KMT2A
SCHEMBL1126702 0.75 TSHR (0.53) ARLMNATDP1ALDH1A1KMT2A

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 7 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

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 AR 2125/4885MAPK8 4198/4885LMNA 3641/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 AR 2125/4885MAPK8 4198/4885LMNA 3641/4885

“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.