SCHEMBL19055334

SCHEMBL19055334

CCCC(C)OCc1c(Cl)cccc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.37
▸ CX3CR1 P49238 1/20 0.33
▸ S1PR1 P21453 2/20 0.32
▸ S1PR5 Q9H228 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ AR P10275 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ PIEZO1 Q92508 1/20 0.31
▸ CTSS P25774 2/20 0.31
▸ CTSK P43235 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ IDO1 P14902 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL21466469 0.89 P2RX7 (0.39) P2RX7S1PR1S1PR5L3MBTL1AR
SCHEMBL19099493 0.87 P2RX7 (0.35) P2RX7CX3CR1S1PR1S1PR5L3MBTL1
SCHEMBL19055368 0.85 SMN1; SMN2 (0.39) L3MBTL1CYP1A2CYP2C9CYP2C19IDO1
SCHEMBL19055340 0.84 SLC6A2 (0.40) P2RX7ARHSD11B1IDO1
SCHEMBL18371912 0.84 P2RX7 (0.41) P2RX7S1PR1S1PR5L3MBTL1AR
SCHEMBL19099495 0.81 P2RX7 (0.40) P2RX7S1PR1S1PR5L3MBTL1AR
SCHEMBL19099368 0.81 TAAR1 (0.44) L3MBTL1NPSR1ALDH1A1HPGDMEN1
SCHEMBL19055358 0.76 KDM4E (0.43) P2RX7S1PR1S1PR5L3MBTL1AR
SCHEMBL12016022 0.76 P2RX7 (0.38) P2RX7L3MBTL1ARCYP1A2CYP2C9
SCHEMBL19099385 0.75 SLC6A2 (0.37) CTSSIDO1

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-9896441-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2018-02-20 — — US disclosed
US-20170183331-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-06-29 — — 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-20170183331-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE RORA, RORB, RORC P2RX7 95/4885CX3CR1 458/4885S1PR1 991/4885

“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.

Send feedback