SCHEMBL16434147

SCHEMBL16434147

O=C(O)Cc1ccc(CS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.48
CAMK2A Q9UQM7 1/20 0.48
RXRA P19793 7/20 0.47
RXRB P28702 7/20 0.47
RXRG P48443 7/20 0.47
AKR1B1 P15121 1/20 0.47
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
TSHR P16473 2/20 0.46
ABCC4 O15439 1/20 0.46
PTGS1 P23219 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
FFAR1 O14842 1/20 0.42
POLB P06746 2/20 0.41
NSD2 O96028 1/20 0.41
GRK2 P25098 1/20 0.41
CASP6 P55212 1/20 0.41

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
SCHEMBL2198863 0.78 PRSS1 (0.58) CA2TSHRHPGDHSD17B10CES1
SCHEMBL16423289 0.78 PTPRZ1 (0.53) CA2CAMK2ARXRARXRBRXRG
SCHEMBL4461203 0.76 CA2 (0.47) CA2CAMK2ARXRARXRBRXRG
SCHEMBL11425423 0.76 CA2 (0.56) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL1344832 0.75 PTGS2 (0.54) LMNATSHRPTGS1HTTNFKB1
SCHEMBL1343669 0.75 PTGS2 (0.54) LMNATSHRPTGS1HTTNFKB1
SCHEMBL25327909 0.75 CA2 (0.42) CA2TSHRHTT
SCHEMBL16030842 0.75 CA2 (0.59) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL19032369 0.75 CA2 (0.54) CA2CAMK2ARXRARXRBRXRG
SCHEMBL27533438 0.75 KIF11 (0.59) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066759-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY SHIONOGI & CO (JP) 2017-03-09 US disclosed
US-9499533-B2 Aromatic 5-membered heterocyclic derivative having TRPV4-Inhibiting activity SHIONOGI & CO., LTD. (JP) 2016-11-22 US disclosed
US-20150038483-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2015-02-05 US disclosed
EP-2832731-A1 AROMATIC HETEROCYCLIC FIVE-MEMBERED RING DERIVATIVE HAVING TRPV4 INHIBITORY ACTIVITY Shionogi & Co., Ltd. (JP) 2015-02-04 EP 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 (2 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-20170066759-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY TRPV4, TRPC4, TRPV2 CA2 47/4885CAMK2A 518/4885RXRA 563/4885
US-20150038483-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY TRPV4, TRPC4, TRPV2 CA2 47/4885CAMK2A 518/4885RXRA 563/4885

“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.