SCHEMBL21553529

SCHEMBL21553529

CC(C)(C)c1ccc(S(=O)(=O)CCC(C)(C)c2ccc(C#N)nc2)nc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.36
AR P10275 1/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHEK1 O14757 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL2739660 0.77 KIF11 (0.44) ARALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL22854087 0.74 PPARD (0.41) PPARDHTTALDH1A1TSHRNPC1
SCHEMBL18935708 0.74 AR (0.39) ARCHEK1
SCHEMBL13335925 0.72 POLB (0.40) PPARDHTTALDH1A1TSHRNPC1
SCHEMBL18745830 0.71 AR (0.40) ARSMN1; SMN2CHEK1NPC1RAB9A
SCHEMBL18503874 0.70 PPARD (0.44) PPARDHTTALDH1A1SMN1; SMN2NPSR1
SCHEMBL19251124 0.70 CNR2 (0.45)
SCHEMBL20858055 0.68 AR (0.33) ARCHEK1
SCHEMBL2616418 0.66 CCR9 (0.43) HTTALDH1A1SMN1; SMN2
SCHEMBL17806570 0.65 KIF11 (0.56) ARALDH1A1HPGDSMN1; SMN2NPSR1

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-10669239-B2 Tetrahydronaphthyl urea derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2020-06-02 US disclosed
US-20190337897-A1 NOVEL TETRAHYDRONAPHTHYL UREA DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2019-11-07 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 (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-20190337897-A1 NOVEL TETRAHYDRONAPHTHYL UREA DERIVATIVE UTS2R, OPRL1, TRPV1 PPARD 2535/4885AR 62/4885HTT 61/4885
US-10669239-B2 Tetrahydronaphthyl urea derivative OPRL1, TRPV1, UTS2R PPARD 2410/4885AR 73/4885HTT 77/4885

“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.