SCHEMBL18299355

SCHEMBL18299355

Cc1nc(C#N)cc(NS(=O)(=O)c2ccccc2)c1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 3/20 0.46
TSHR P16473 1/20 0.46
SLC22A12 Q96S37 2/20 0.44
PIK3CG P48736 2/20 0.44
AGTR1 P30556 1/20 0.43
GLO1 Q04760 1/20 0.43
PAX8 Q06710 1/20 0.43
BRD4 O60885 1/20 0.43
ALDH1A1 P00352 5/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
METAP2 P50579 1/20 0.41
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL18299479 0.78 TSHR (0.47) SLC40A1TSHRPIK3CGAGTR1GLO1
SCHEMBL18308294 0.77 ALDH1A1 (0.43) TSHRALDH1A1HPGDKDM4EGAA
SCHEMBL18299844 0.76 ACLY (0.47) TSHRSLC22A12ALDH1A1HPGDHSD17B10
SCHEMBL18309675 0.75 SLC22A12 (0.44) SLC40A1TSHRSLC22A12PIK3CGAGTR1
SCHEMBL18299151 0.72 ALDH1A1 (0.50) SLC40A1TSHRSLC22A12ALDH1A1HPGD
SCHEMBL18309663 0.72 SLC22A12 (0.44) SLC22A12ALDH1A1GAARECQLSMN1; SMN2
SCHEMBL18309698 0.71 CA12 (0.43) SLC40A1SLC22A12ALDH1A1GAARECQL
SCHEMBL18299624 0.69 SLC22A12 (0.51) SLC40A1SLC22A12GLO1
SCHEMBL21865747 0.69 RXFP1 (0.55) TSHRSLC22A12ALDH1A1HPGDHSD17B10
SCHEMBL18299831 0.69 SLC22A12 (0.51) SLC40A1SLC22A12GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 US disclosed
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 US disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 US disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 US disclosed
CN-107820494-B Nuclear receptor modulators 艾伯维公司 2020-10-16 CN disclosed
EP-3636643-A1 NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2020-04-15 EP disclosed
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2019-02-21 US disclosed
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2019-02-21 US disclosed
US-10106501-B2 Nuclear receptor modulators ABBVIE INC. (US) 2018-10-23 US disclosed
EP-3307734-A1 NUCLEAR RECEPTOR MODULATORS AbbVie Inc. (US) 2018-04-18 EP disclosed
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 US disclosed
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 US disclosed
WO-2016200851-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 WO disclosed
WO-2016200851-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 WO disclosed
WO-2016198908-A1 ROR NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 WO disclosed
WO-2016198908-A1 ROR NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 WO 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 (5 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-20160362370-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 SLC40A1 1290/4885TSHR 215/4885SLC22A12 921/4885
US-10106501-B2 Nuclear receptor modulators NR1I2, NR1H2, NR5A2 SLC40A1 1290/4885TSHR 215/4885SLC22A12 921/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 SLC40A1 1290/4885TSHR 215/4885SLC22A12 921/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 SLC40A1 1290/4885TSHR 215/4885SLC22A12 921/4885
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 SLC40A1 1290/4885TSHR 215/4885SLC22A12 921/4885

“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.