SCHEMBL12376750

SCHEMBL12376750

CC(C)NS(=O)(=O)c1cccc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.60
SLC1A3 P43003 1/20 0.56
SLC1A2 P43004 1/20 0.56
SLC1A1 P43005 1/20 0.56
ALDH1A1 P00352 1/20 0.54
PKM P14618 1/20 0.53
NR3C1 P04150 1/20 0.52
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HTT P42858 1/20 0.49
HTR2B P41595 1/20 0.49
FBP1 P09467 2/20 0.49
EDNRB P24530 1/20 0.48
EDNRA P25101 1/20 0.48

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
SCHEMBL16000134 0.81 ALDH1A1 (0.51) PGRALDH1A1NR3C1EDNRBEDNRA
SCHEMBL171036 0.80 KMT2A (0.61) ALDH1A1LMNAMAPTHTR2BFBP1
SCHEMBL2371349 0.79 LMNA (0.61) PGRPKMLMNAMAPTTDP1
SCHEMBL6927818 0.79 PGR (0.65) PGRPKMLMNAMAPTTDP1
SCHEMBL12089569 0.79 CA2 (0.51) PGRALDH1A1MAPTTDP1HTT
SCHEMBL9866942 0.79 HTR2B (0.49) ALDH1A1PKMHTR2B
SCHEMBL3649156 0.79 POLB (0.56) ALDH1A1PKMLMNATDP1HTR2B
SCHEMBL7913284 0.79 HTR2B (0.52) PGRALDH1A1HTR2B
SCHEMBL265556 0.79 HSD17B2 (0.49) PGRALDH1A1HTR2BEDNRBEDNRA
SCHEMBL7863564 0.78 PGR (0.60) PGRALDH1A1PKMLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220194945-A1 Imidazolopyridine Compounds For IRE1 Inhibition Optikira, LLC 2022-06-23 US disclosed
US-9199959-B2 HIV replication inhibitor SHIONOGI & CO., LTD. (JP) 2015-12-01 US disclosed
US-20140249306-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2014-09-04 US disclosed
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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 (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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC PGR 427/4885SLC1A3 1823/4885SLC1A2 1054/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 PGR 1155/4885SLC1A3 1405/4885SLC1A2 1219/4885
US-20220194945-A1 Imidazolopyridine Compounds For IRE1 Inhibition XBP1, ERN2, ERN1 PGR 2005/4885SLC1A3 4259/4885SLC1A2 4136/4885
US-20140249306-A1 HIV REPLICATION INHIBITOR SSU72, RTF2, ZC3HAV1 PGR 1155/4885SLC1A3 4778/4885SLC1A2 4408/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 PGR 1155/4885SLC1A3 1405/4885SLC1A2 1219/4885

“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.