SCHEMBL18299679

SCHEMBL18299679

CS(=O)(=O)OCc1c(Cl)ccc(C(=O)O)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
TSHR P16473 2/20 0.39
CASP1 P29466 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.35
TP53 P04637 2/20 0.35
MYC P01106 1/20 0.35
NR4A1 P22736 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL18299439 0.82 CA12 (0.36) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9077199 0.81 KMO (0.44) LMNATSHRCASP1SMN1; SMN2ALDH1A1
SCHEMBL10397526 0.75 TSHR (0.47) LMNATSHRCASP1SMN1; SMN2ALDH1A1
SCHEMBL8567935 0.75 ALDH1A1 (0.40) LMNAALDH1A1CYP1A2CYP3A4KMT2A
SCHEMBL31373399 0.73 RECQL (0.42) LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL18298870 0.73 TSHR (0.48) LMNATSHRCASP1SMN1; SMN2ALDH1A1
SCHEMBL8133689 0.72 TSHR (0.44) LMNATSHRCASP1SMN1; SMN2ALDH1A1
SCHEMBL8924429 0.72 TSHR (0.44) LMNATSHRCASP1SMN1; SMN2ALDH1A1
SCHEMBL30664495 0.72 TSHR (0.47) LMNATSHRCASP1SMN1; SMN2ALDH1A1
SCHEMBL28204176 0.72 TSHR (0.47) LMNATSHRCASP1SMN1; SMN2ALDH1A1

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 9 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-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-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
WO-2016200851-A1 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 LMNA 4702/4885TSHR 215/4885CASP1 4261/4885
US-10106501-B2 Nuclear receptor modulators NR1I2, NR1H2, NR5A2 LMNA 4702/4885TSHR 215/4885CASP1 4261/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 LMNA 4702/4885TSHR 215/4885CASP1 4261/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 LMNA 4702/4885TSHR 215/4885CASP1 4261/4885
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 LMNA 4702/4885TSHR 215/4885CASP1 4261/4885

“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.