SCHEMBL21466469

SCHEMBL21466469

CCC(C)OCc1c(Cl)cccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.39
▸ CTSS P25774 3/20 0.34
▸ CTSK P43235 1/20 0.34
▸ S1PR1 P21453 2/20 0.33
▸ S1PR5 Q9H228 2/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ AR P10275 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32
▸ PIEZO1 Q92508 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ IDO1 P14902 4/20 0.32
▸ RORC P51449 1/20 0.32
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL19055334 0.89 P2RX7 (0.37) P2RX7CTSSCTSKS1PR1S1PR5
SCHEMBL18371912 0.86 P2RX7 (0.41) P2RX7CTSSS1PR1S1PR5L3MBTL1
SCHEMBL19055367 0.84 SMN1; SMN2 (0.41) CYP1A2CYP2C9CYP2C19IDO1SLC6A2
SCHEMBL19099495 0.84 P2RX7 (0.40) P2RX7CTSSS1PR1S1PR5L3MBTL1
SCHEMBL19099493 0.81 P2RX7 (0.35) P2RX7CTSSCTSKS1PR1S1PR5
SCHEMBL19099315 0.80 TAAR1 (0.46) L3MBTL1ALDH1A1HPGD
SCHEMBL19055358 0.78 KDM4E (0.43) P2RX7S1PR1S1PR5L3MBTL1AR
SCHEMBL12016022 0.78 P2RX7 (0.38) P2RX7L3MBTL1ARCYP1A2CYP2C9
SCHEMBL18419819 0.77 P2RX7 (0.41) P2RX7CTSSCTSKL3MBTL1TRPV1
SCHEMBL16939396 0.76 P2RX7 (0.41) P2RX7CTSSCTSKS1PR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10442798-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2019-10-15 — — 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-10442798-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORA, RORC, RORB P2RX7 85/4885CTSS 3575/4885CTSK 3630/4885

“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.

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