SCHEMBL3510160

SCHEMBL3510160

O=C(NC(F)(F)F)c1cc[c]cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
MLYCD O95822 3/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.33
TRPV1 Q8NER1 2/20 0.33
PTGS1 P23219 2/20 0.33
P2RX1 P51575 1/20 0.33

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
SCHEMBL744546 0.79 LMNA (0.46) POLBMAPTSMN1; SMN2
SCHEMBL118008 0.78 HDAC3 (0.54) CES1POLBNPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL4002564 0.77 HDAC3 (0.52) CES1POLBNPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL1268649 0.77 HDAC3 (0.52) CES1POLBNPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL5168768 0.77 HDAC3 (0.52) CES1POLBNPC1RAB9AALDH1A1
SCHEMBL29061897 0.76 HDAC6 (0.34) NPC1RAB9AALDH1A1GAA
SCHEMBL2425058 0.75 EPHX2 (0.47) CES2CES1POLBNPC1RAB9A
SCHEMBL4043331 0.75 ALDH1A1 (0.59) POLBRAB9AKDM4EALDH1A1GAA
SCHEMBL743934 0.75 ACACB (0.43) MLYCDPOLBGAASMN1; SMN2
SCHEMBL8612257 0.75 MLYCD (0.58) MLYCDNPC1RAB9AALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293919-B2 Antibacterial sulfone and sulfoxide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-10-23 US claimed
US-20100286169-A1 Antibacterial Sulfone and Sulfoxide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2010-11-11 US claimed
US-8293919-B2 Antibacterial sulfone and sulfoxide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-10-23 US disclosed
US-20100286169-A1 Antibacterial Sulfone and Sulfoxide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2010-11-11 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 (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-20100286169-A1 Antibacterial Sulfone and Sulfoxide Substituted Heterocyclic Urea Compounds TST, UMPS, UROD CES2 2347/4885CES1 3002/4885MLYCD 991/4885

“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.