SCHEMBL14718102

SCHEMBL14718102

N#CC=C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.43
TRPV4 Q9HBA0 1/20 0.39
ALPL P05186 1/20 0.38
CTSL P07711 2/20 0.37
SLC40A1 Q9NP59 1/20 0.37
CNR2 P34972 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NAMPT P43490 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
CASP1 P29466 3/20 0.35
POLB P06746 1/20 0.34
RORC P51449 1/20 0.34
MME P08473 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
KCNA5 P22460 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
SCHEMBL14718098 1.00 SLC22A12 (0.43) SLC22A12TRPV4ALPLCTSLSLC40A1
SCHEMBL14718100 1.00 SLC22A12 (0.43) SLC22A12TRPV4ALPLCTSLSLC40A1
SCHEMBL14718097 1.00 SLC22A12 (0.43) SLC22A12TRPV4ALPLCTSLSLC40A1
SCHEMBL14717195 0.74 DAGLA (0.37) SLC22A12TRPV4CTSLNAMPTCYP3A4
SCHEMBL14717196 0.74 DAGLA (0.37) SLC22A12TRPV4CTSLNAMPTCYP3A4
SCHEMBL14717193 0.74 DAGLA (0.37) SLC22A12TRPV4CTSLNAMPTCYP3A4
SCHEMBL2867346 0.72 ADRB3 (0.40) SLC22A12ALPLSLC40A1CNR2MAPT
SCHEMBL14733667 0.70 PPARG (0.35) SLC22A12CTSLSMN1; SMN2CYP3A4CYP2C19
SCHEMBL12491364 0.70 SMN1; SMN2 (0.54) SLC22A12ALPLSLC40A1SMN1; SMN2CYP2C19
SCHEMBL6020396 0.67 SLC22A12 (0.52) SLC22A12TRPV4ALPLSLC40A1CNR2

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-8940722-B2 Compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease PHENEX PHARMACEUTICALS AG (DE) 2015-01-27 US disclosed
EP-2542537-B1 NOVEL COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (ROR GAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASE PHENEX PHARMACEUTICALS AG (DE) 2014-05-21 EP disclosed
US-20130053380-A1 Novel compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORgamma, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease PHENEX PHARMACEUTICALS AG (DE) 2013-02-28 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-20130053380-A1 Novel compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORgamma, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease RORB, RORC, RORA SLC22A12 2213/4885TRPV4 894/4885ALPL 1830/4885

“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.