SCHEMBL5980353

SCHEMBL5980353

Cc1cc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
CES2 O00748 1/20 0.42
PRSS1 P07477 2/20 0.40
ACR P10323 2/20 0.40
GPBAR1 Q8TDU6 2/20 0.39
SRD5A1 P18405 2/20 0.39
SRD5A2 P31213 2/20 0.39
RHOC P08134 1/20 0.39
RHOA P61586 1/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
TLR8 Q9NR97 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
ATM Q13315 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL17355730 0.89 PRSS1 (0.52) CES2PRSS1ACRSRD5A1SRD5A2
SCHEMBL5981672 0.80 KMT2A (0.49) NOTUMCES2PRSS1ACRRHOC
SCHEMBL5981098 0.80 NOTUM (0.40) NOTUMCES2PRSS1ACRGPBAR1
SCHEMBL5981059 0.79 CES2 (0.47) CES2GPBAR1SRD5A2MAPTKMT2A
SCHEMBL17355727 0.79 KMT2A (0.58) MAPTPOLBKMT2ATDP1L3MBTL1
SCHEMBL17355724 0.79 TTR (0.47) SRD5A1SRD5A2MAPTPOLBLMNA
SCHEMBL17355721 0.79 KMT2A (0.57) PRSS1ACRMAPTLMNAKMT2A
SCHEMBL17355728 0.79 CES2 (0.47) CES2MAPTLMNAKMT2ANR1H4
SCHEMBL17355718 0.75 ELANE (0.38) MAPTPOLBTDP1L3MBTL1
SCHEMBL26298151 0.74 ELANE (0.49) NOTUMCES2PRSS1ACRSRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115766-B2 Nucleophilic approach for preparing radiolabeled imaging agents and associated compounds INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORP. (US) 2006-10-03 US disclosed
US-20040034246-A1 Nucleophilic approach for preparing radiolabeled imaging agents and associated compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-02-19 US disclosed
WO-2002044144-A2 NUCLEOPHILIC APPROACH FOR PREPARING RADIOLABELED IMAGING AGENTS AND ASSOCIATED COMPOUNDS ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. (US) 2002-06-06 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 (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-20040034246-A1 Nucleophilic approach for preparing radiolabeled imaging agents and associated compounds SNCA, PARK7, SAMHD1 NOTUM 2560/4885CES2 535/4885PRSS1 1467/4885

“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.