SCHEMBL8764659

SCHEMBL8764659

[Li]c1c(OC)cccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
AR P10275 5/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NFE2L2 Q16236 4/20 0.40
PGR P06401 1/20 0.39
ATM Q13315 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL10451316 0.82 AR (0.49) MAOBARCA12CA1CA2
SCHEMBL29749364 0.82 AR (0.49) MAOBARCA12CA1CA2
SCHEMBL8764099 0.79 KCNK3 (0.46) ARMAPTKDM4EALDH1A1HPGD
SCHEMBL30093322 0.79 CA1 (0.55) MAOBARCA12CA1CA2
SCHEMBL255270 0.79 CA1 (0.55) MAOBARCA12CA1CA2
SCHEMBL11612177 0.78 ALDH1A1 (0.39) CA2SMN1; SMN2TSHRLMNAMAPT
SCHEMBL1142161 0.78 CA1 (0.58) CA12CA1CA2CA4CA7
SCHEMBL4511619 0.78 AR (0.44) MAOBARCA12CA1CA2
SCHEMBL9952870 0.78 AR (0.44) MAOBARCA12CA1CA2
SCHEMBL16049413 0.78 AR (0.44) MAOBARCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9908846-B2 Composition, synthesis, and use of new arylsulfonyl isonitriles DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-03-06 US disclosed
US-20150239833-A1 COMPOSITION, SYNTHESIS, AND USE OF NEW ARYLSULFONYL ISONITRILES DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2015-08-27 US disclosed
EP-0511826-B1 Phosphosulfonate herbicides ROHM & HAAS (US) 1997-07-16 EP disclosed
US-5500405-A Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1996-03-19 US disclosed
US-5272128-A Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1993-12-21 US disclosed
EP-0511826-A2 Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1992-11-04 EP 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-20150239833-A1 COMPOSITION, SYNTHESIS, AND USE OF NEW ARYLSULFONYL ISONITRILES SRMS, AADAC, CYP3A4 MAOB 2438/4885AR 957/4885CA12 4549/4885

“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.