SCHEMBL1963804

SCHEMBL1963804

Cc1ccc(C(=O)O)c(Cl)c1CBr

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CLCN2 P51788 4/20 0.39
TTR P02766 2/20 0.38
NR4A1 P22736 2/20 0.38
MEN1 O00255 1/20 0.38
AKR1B10 O60218 1/20 0.38
ABCB11 O95342 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
FABP2 P12104 1/20 0.38
RXRA P19793 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGS1 P23219 1/20 0.38
PDE4A P27815 1/20 0.38
MAPK1 P28482 1/20 0.38
PTGS2 P35354 1/20 0.38
AKR1C3 P42330 1/20 0.38
NR4A2 P43354 1/20 0.38
AKR1C2 P52895 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1757352 0.86 CLCN2 (0.42) TSHRCLCN2TTRNR4A1MEN1
SCHEMBL9827291 0.84 TSHR (0.41) TSHRCLCN2TTRNR4A1MEN1
SCHEMBL2258690 0.83 HAAO (0.40) HAAOKDM4EMCL1MYCCYP1A2
SCHEMBL28204176 0.81 TSHR (0.47) TSHRCLCN2NR4A1MEN1KMT2A
SCHEMBL18280372 0.81 HAAO (0.39) TSHRMEN1AKR1B10ABCB11CHRM1
SCHEMBL23703865 0.81 HAAO (0.39) TSHRCLCN2NR4A1HAAOKDM4E
SCHEMBL30664495 0.81 TSHR (0.47) TSHRCLCN2NR4A1MEN1KMT2A
SCHEMBL8384754 0.80 HAAO (0.38) AKR1C3KMT2AHAAOKDM4EMCL1
SCHEMBL8127076 0.79 CYP3A4 (0.38) CLCN2TTRNR4A1MEN1AKR1B10
SCHEMBL31147083 0.77 LMNA (0.41) TSHRMAPK1CASP1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2022-06-16 US disclosed
EP-2509946-B1 SPIRO INDOLE-CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS HOFFMANN LA ROCHE (CH) 2014-04-16 EP disclosed
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-04-25 US disclosed
US-8354443-B2 Cyclopropane indolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2509946-A1 SPIRO INDOLE - CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS F. Hoffmann-La Roche AG (CH) 2012-10-17 EP disclosed
US-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 US disclosed
WO-2011069298-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed
WO-2011070039-A1 SPIRO INDOLE - CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 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 (3 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-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 TSHR 1578/4885CLCN2 762/4885TTR 3902/4885
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 TSHR 1638/4885CLCN2 769/4885TTR 3924/4885
US-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR NR1I2, NR1H2, NR1H4 TSHR 230/4885CLCN2 3139/4885TTR 2071/4885

“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.