SCHEMBL1126724

SCHEMBL1126724

CC(C)Cc1c[nH]cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
SGK1 O00141 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
DHODH Q02127 1/20 0.36
AKR1C2 P52895 2/20 0.36
AKR1C1 Q04828 1/20 0.36
FBP1 P09467 1/20 0.35
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
LMNA P02545 3/20 0.35
CYP2C9 P11712 2/20 0.35
AKR1C3 P42330 2/20 0.35
CXCR1 P25024 2/20 0.35
CXCR2 P25025 2/20 0.35
ALB P02768 1/20 0.35
ESR1 P03372 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
SCHEMBL21751965 0.79 NOTUM (0.54) NOTUMALDH1A1KMT2AGABRA1GABRB2
SCHEMBL891107 0.78 GABRA1 (0.42) ALDH1A1GABRA1GABRB2AKR1C2PTGS1
SCHEMBL1126625 0.77 ALDH1A1 (0.49) ALDH1A1KMT2ALMNACYP2C9TSHR
SCHEMBL969678 0.73 NOTUM (0.48) NOTUMALDH1A1KMT2AGABRA1GABRB2
SCHEMBL157592 0.72 FOLH1 (0.53) ALDH1A1KMT2AGABRA1GABRB2LMNA
SCHEMBL5842251 0.71 NOTUM (0.45) NOTUMALDH1A1KMT2A
SCHEMBL17799517 0.71 FOLH1 (0.52) ALDH1A1KMT2AGABRA1GABRB2LMNA
SCHEMBL70047 0.69 NOTUM (0.65) NOTUMALDH1A1KMT2ATSHRHPGD
SCHEMBL27418750 0.69 ADRB3 (0.39) ALDH1A1GABRA1GABRB2AKR1C2AKR1C1
SCHEMBL1356439 0.69 ACE2 (0.50) ALDH1A1SGK1CAMKK2ADRB3TSHR

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 NOTUM 616/4885ALDH1A1 219/4885KMT2A 3996/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 NOTUM 616/4885ALDH1A1 219/4885KMT2A 3996/4885

“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.