SCHEMBL27666

SCHEMBL27666

CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cc[n+]([O-])cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 15/20 0.75
CCR2 P41597 1/20 0.70
LMNA P02545 2/20 0.57
HTT P42858 2/20 0.57
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
SLC10A6 Q3KNW5 1/20 0.50

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
SCHEMBL27486 0.89 LMNA (0.72) CCR9CCR2LMNAHTTTP53
SCHEMBL343149 0.89 CCR9 (0.78) CCR9CCR2LMNAHTTTP53
SCHEMBL27433 0.87 CCR9 (0.74) CCR9LMNAHTTTP53MAPT
SCHEMBL343179 0.85 CCR9 (1.00) CCR9CCR2LMNAHTTTP53
SCHEMBL10248530 0.84 CCR9 (0.77) CCR9CCR2LMNAHTTTP53
SCHEMBL28412 0.84 CCR9 (0.69) CCR9LMNAHTTTP53MAPT
SCHEMBL12032397 0.83 CCR9 (0.70) CCR9LMNAHTTTP53MAPT
SCHEMBL27420 0.83 CCR9 (0.68) CCR9LMNAHTTTP53MAPT
SCHEMBL344257 0.83 CCR9 (0.75) CCR9CCR2LMNAHTTTP53
SCHEMBL343133 0.83 CCR9 (1.00) CCR9CCR2LMNAHTTTP53

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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107735401-B Substituted dihydropyrrolopyrazole derivatives 宇部兴产株式会社 2021-08-31 CN claimed
US-10273252-B2 Substituted dihydropyrrolopyrazole derivative UBE INDUSTRIES, LTD. (JP) 2019-04-30 US claimed
US-20180186818-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2018-07-05 US claimed
US-8815887-B2 Prophylactic or therapeutic method for Sjogren's syndrome MILLENIUM PHARMACEUTICALS, INC. (US) 2014-08-26 US claimed
EP-1798223-B2 Aryl sulfonamides CHEMOCENTRYX INC (US) 2014-07-30 EP claimed
WO-2014088113-A1 PROPHYLACTIC OR THERAPEUTIC METHOD FOR SJOGREN'S SYNDROME USING SPECIFIC CCR9 RECEPTOR INHIBITORS/ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-06-12 WO claimed
US-20140155437-A1 PROPHYLACTIC OR THERAPEUTIC METHOD FOR SJOGREN'S SYNDROME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-05 US claimed
EP-2402310-A1 CCR9 inhibitors and methods of use thereof Millennium Pharmaceuticals, Inc. (US) 2012-01-04 EP claimed
EP-2399903-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2011-12-28 EP claimed
EP-1798223-B1 Aryl sulfonamides CHEMOCENTRYX INC (US) 2011-07-20 EP claimed
US-11851449-B2 Heterocyclic amide compounds having an RORvt inhibitory action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-26 US disclosed
EP-3885347-B1 DIHYDROPYRROLOPYRAZOLE DERIVATIVE UBE CORP (JP) 2023-11-22 EP disclosed
EP-3018123-B1 AMIDE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2023-05-10 EP disclosed
US-20220002303-A1 DIHYDROPYRROLOPYRAZOLE DERIVATIVE UBE CORPORATION (JP) 2022-01-06 US disclosed
EP-3885347-A1 DIHYDROPYRROLOPYRAZOLE DERIVATIVE Ube Industries, Ltd. (JP) 2021-09-29 EP disclosed
US-20060167251-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2006-07-27 US disclosed
US-20060111351-A1 Aryl sulfonamides CHEMOCENTRYX, INC. 2006-05-25 US disclosed
WO-2005112925-A1 ARYL SULFONAMIDES CHEMOCENTRYX (US) 2005-12-01 WO disclosed
US-20050137193-A1 Aryl sulfonamides CHEMOCENTREYX 2005-06-23 US disclosed
US-20040038976-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-02-26 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 (9 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-20220002303-A1 DIHYDROPYRROLOPYRAZOLE DERIVATIVE CBR3, SLC13A3, CYP3A5 CCR9 1918/4885CCR2 499/4885LMNA 3907/4885
US-20050137193-A1 Aryl sulfonamides CCR9, CCR1, CCR2 CCR9 1/4885CCR2 3/4885LMNA 4484/4885
US-20140155437-A1 PROPHYLACTIC OR THERAPEUTIC METHOD FOR SJOGREN'S SYNDROME SSB, SCLY, HLA-DRB1 CCR9 1218/4885CCR2 1700/4885LMNA 3957/4885
US-20060111351-A1 Aryl sulfonamides CCR9, CCR1, CCR2 CCR9 1/4885CCR2 3/4885LMNA 4484/4885
US-20060167251-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 CCR9 1/4885CCR2 10/4885LMNA 3548/4885
US-10273252-B2 Substituted dihydropyrrolopyrazole derivative QDPR, CYP11B2, CYP4F3 CCR9 3773/4885CCR2 1187/4885LMNA 4373/4885
US-11851449-B2 Heterocyclic amide compounds having an RORvt inhibitory action RORB, RORC, RORA CCR9 1759/4885CCR2 2460/4885LMNA 4543/4885
US-20180186818-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE QDPR, CYP11B2, CYP4F3 CCR9 3773/4885CCR2 1187/4885LMNA 4373/4885
US-20040038976-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 CCR9 1/4885CCR2 10/4885LMNA 3548/4885

“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.