SCHEMBL5696174

SCHEMBL5696174

O=S(=O)(O)n1cccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.43
HTR1A P08908 3/20 0.43
DRD2 P14416 3/20 0.43
HTR2A P28223 3/20 0.43
HTR7 P34969 3/20 0.43
PCSK9 Q8NBP7 1/20 0.39
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GLO1 Q04760 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
CHEK1 O14757 1/20 0.34
MAP4K4 O95819 1/20 0.34
CSF1R P07333 1/20 0.34
PRKACA P17612 1/20 0.34
KDR P35968 1/20 0.34
CDK8 P49336 1/20 0.34
MAP2K1 Q02750 1/20 0.34
ACVR1 Q04771 1/20 0.34
MAP4K2 Q12851 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
SCHEMBL8634800 0.82 PCSK9 (0.44) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL7062997 0.80 CA1 (0.45) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL28098388 0.68 RAPGEF4 (0.36) TSHRSMN1; SMN2PPME1
Biphenyl SCHEMBL7077316 0.67 ALDH1A1 (0.60) HTR6TSHRSMN1; SMN2ALDH1A1MAPT
Biphenyl SCHEMBL1681197 0.67 ALDH1A1 (0.60) HTR6TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL9019096 0.67 PCSK9 (0.45) PCSK9GLO1ALDH1A1MAPTCHEK1
SCHEMBL14955691 0.67 RAPGEF4 (0.40) TSHRSMN1; SMN2
Sulfuric Acid SCHEMBL29279046 0.65 ALDH1A1 (0.56) TSHRSMN1; SMN2ALDH1A1MAPT
Biphenyl SCHEMBL10617373 0.65 ALDH1A1 (0.56) HTR6TSHRSMN1; SMN2ALDH1A1MAPT
Biphenyl SCHEMBL28140780 0.65 ALDH1A1 (0.56) HTR6TSHRSMN1; SMN2ALDH1A1MAPT

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
EP-2800745-B1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORY, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2020-02-12 EP disclosed
US-9815851-B2 Pyrrolo carboxamides as modulators of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases PHENEX PHARMACEUTICALS AG (DE) 2017-11-14 US disclosed
US-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2014-11-27 US disclosed
EP-2800745-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORY, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES Phenex Pharmaceuticals AG (DE) 2014-11-12 EP disclosed
WO-2013079223-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORϒ, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2013-06-06 WO disclosed
EP-1655284-A1 2-Phenylsulfopyrroles Aponetics AG (CH) 2006-05-10 EP disclosed
EP-1655284-A1 2-Phenylsulfopyrroles Aponetics AG (CH) 2006-05-10 EP disclosed
EP-1655284-A1 2-Phenylsulfopyrroles Aponetics AG (CH) 2006-05-10 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 (1 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-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES RORA, RORB, RORC HTR6 4031/4885HTR1A 3885/4885DRD2 2843/4885

“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.