SCHEMBL16245212

SCHEMBL16245212

CC(C)(C)COc1cc(Br)ccc1S(=O)(=O)NC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALPL P05186 2/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
MAPK1 P28482 1/20 0.35
CA12 O43570 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
SCHEMBL15002386 0.84 CYP2C9 (0.44) LMNASMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL14930240 0.83 LMNA (0.49) LMNASMN1; SMN2GLAHTTRECQL
SCHEMBL14930267 0.82 GLA (0.50) LMNASMN1; SMN2GLAGAAKDM4E
SCHEMBL16259603 0.81 ACHE (0.41) LMNASMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL3019244 0.78 ALPL (0.57) LMNAALPL
SCHEMBL16244790 0.77 LMNA (0.42) LMNASMN1; SMN2GLAALDH1A1KDM4E
SCHEMBL16244734 0.76 DGAT1 (0.42) ALPLCA1CA2CA12CA9
SCHEMBL30714339 0.73 CA1 (0.55) LMNASMN1; SMN2ALDH1A1KDM4ERAB9A
SCHEMBL12483421 0.73 CA1 (0.55) LMNASMN1; SMN2ALDH1A1KDM4ERAB9A
SCHEMBL265020 0.73 KMT2A (0.51) LMNASMN1; SMN2GLAALDH1A1KDM4E

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 3 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

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 LMNA 4559/4885SMN1; SMN2 3179/4885GLA 3706/4885

“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.