SCHEMBL16891748

SCHEMBL16891748

CC(=O)NCC1CCC(F)(F)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
P2RX7 Q99572 11/20 0.40
EPHX2 P34913 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
IL1B P01584 8/20 0.38
CACNA1H O95180 1/20 0.38
ROCK2 O75116 1/20 0.37
HSD17B13 Q7Z5P4 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
SCHEMBL8123760 0.84 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8137950 0.82 TDP1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL306555 0.82 CYP2D6 (0.50) TDP1P2RX7IL1BHSD17B13
SCHEMBL18213837 0.81 P2RX7 (0.39) TDP1P2RX7EPHX2IL1BROCK2
SCHEMBL48633 0.81
SCHEMBL13165688 0.81 TDP1 (0.58) TDP1CACNA1H
SCHEMBL19864493 0.80 APLNR (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23194520 0.79 P2RX7 (0.40) TDP1P2RX7IL1BHSD17B13
Hydrochloric Acid SCHEMBL4553435 0.79
SCHEMBL13895397 0.79 P2RX7 (0.38) P2RX7IL1B

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-20160326103-A1 CARBOCYCLIC SULFONE ROR GAMMA MODULATORS BRISTROL-MYERS SQUIBB COMPANY (US) 2016-11-10 US disclosed
WO-2015103508-A1 CARBOCYCLIC SULFONE RORγ MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-09 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-20160326103-A1 CARBOCYCLIC SULFONE ROR GAMMA MODULATORS RORC, RORB, RORA PSEN1 1497/4885PSEN2 1784/4885APH1B 1804/4885

“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.