SCHEMBL18213802

SCHEMBL18213802

CC(C)(C)OCc1cc(F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.43
SLC6A4 P31645 7/20 0.43
HTR2A P28223 6/20 0.43
RIPK1 Q13546 1/20 0.43
IDO1 P14902 4/20 0.40
AGXT P21549 2/20 0.40
CACNA1C Q13936 1/20 0.40
MMP2 P08253 2/20 0.39
MMP12 P39900 2/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
RORC P51449 2/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 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
SCHEMBL13882408 0.85 IDO1 (0.58) RIPK1IDO1AGXTRORC
SCHEMBL20002817 0.84 RORC (0.41) HTR2CSLC6A4HTR2ARIPK1IDO1
SCHEMBL18213830 0.83 MEN1 (0.46) HTR2CSLC6A4HTR2AIDO1RORC
SCHEMBL18213815 0.83 IDO1 (0.38) HTR2CSLC6A4HTR2AIDO1
SCHEMBL12666596 0.81 SLC6A4 (0.40) HTR2CSLC6A4HTR2ARIPK1IDO1
SCHEMBL31072009 0.81 NR3C1 (0.38) HTR2CSLC6A4HTR2ARIPK1IDO1
SCHEMBL21767395 0.81 NR3C1 (0.38) HTR2CSLC6A4HTR2ARIPK1IDO1
SCHEMBL18213806 0.81 ALDH1A1 (0.48) SLC6A4IDO1RORC
SCHEMBL16886255 0.81 IDO1 (0.41) HTR2CSLC6A4HTR2ARIPK1IDO1
SCHEMBL19240333 0.80 CHRM2 (0.46) IDO1

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-9771320-B2 Carbocyclic sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
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 HTR2C 3003/4885SLC6A4 4808/4885HTR2A 3880/4885

“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.