SCHEMBL1993901

SCHEMBL1993901

Cc1cc(-c2ccccc2)c(C(=O)C(=O)Cl)n1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 2/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.39
NOTUM Q6P988 1/20 0.38
PTGS1 P23219 1/20 0.38
APEX1 P27695 1/20 0.37
AR P10275 1/20 0.37
AKR1B1 P15121 1/20 0.37

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
SCHEMBL23488097 0.87 THRB (0.40) KDM4EHPGDALDH1A1HTTL3MBTL1
SCHEMBL1990353 0.84 MEN1 (0.44) ALDH1A1TSHRHSD17B10AR
SCHEMBL1127378 0.83 HPGD (0.41) HPGDALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL1990968 0.82 NOTUM (0.35) KDM4EALDH1A1L3MBTL1SMN1; SMN2NOTUM
SCHEMBL1127423 0.82 TSHR (0.39) KDM4EHPGDALDH1A1TSHRSMN1; SMN2
SCHEMBL1127684 0.82 ALDH1A1 (0.41) KDM4EHPGDALDH1A1HTTTSHR
SCHEMBL15161860 0.82 LMNA (0.44) KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL1126731 0.81 MMP1 (0.41) ALDH1A1L3MBTL1SMN1; SMN2HSD17B10PTGS1
SCHEMBL15162232 0.81 MEN1 (0.54) ALDH1A1TSHRSMN1; SMN2PTGDR2NOTUM
SCHEMBL1126938 0.81 KDM4E (0.43) KDM4EHPGDALDH1A1TSHRSMN1; SMN2

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 KDM4E 1706/4885HPGD 2971/4885ALDH1A1 219/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 KDM4E 1706/4885HPGD 2971/4885ALDH1A1 219/4885

“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.