SCHEMBL18213832

SCHEMBL18213832

Cc1ccc(C#N)c(COC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.41
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
HBB P68871 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL18213822 0.82 RORC (0.43) AR
SCHEMBL18213796 0.77 ALDH1A1 (0.43) NPC1MAPTRAB9ASMN1; SMN2TSHR
SCHEMBL8237072 0.74 AR (0.42) ARPDE3BPDE3APKMNPC1
SCHEMBL18213815 0.74 IDO1 (0.38) PKMMAPT
SCHEMBL24786214 0.73 AR (0.41) ARPDE3BPDE3APKM
SCHEMBL16954724 0.73 AR (0.41) ARPDE3BPDE3APKM
SCHEMBL8004332 0.73 AR (0.41) ARPDE3BPDE3APKMNPC1
SCHEMBL21872614 0.73 AR (0.42) ARPDE3BPDE3APKMTSHR
SCHEMBL31667447 0.73 AR (0.41) ARPDE3BPDE3APKMTSHR
SCHEMBL31667242 0.73 AR (0.41) ARPDE3BPDE3APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771320-B2 Carbocyclic sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160326103-A1 CARBOCYCLIC SULFONE ROR GAMMA MODULATORS BRISTROL-MYERS SQUIBB COMPANY (US) 2016-11-10 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-20160326103-A1 CARBOCYCLIC SULFONE ROR GAMMA MODULATORS RORC, RORB, RORA AR 425/4885PDE3B 2088/4885PDE3A 2115/4885

“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.