SCHEMBL12202151

SCHEMBL12202151

CC(C)C1CCCN(S(=O)(=O)C2CC2)C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
HCRTR2 O43614 3/20 0.36
EPHX2 P34913 2/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL10232856 0.89 EPHX2 (0.33) HCRTR2EPHX2
SCHEMBL22171140 0.89 EPHX2 (0.33) HCRTR2EPHX2
SCHEMBL24267436 0.89 EPHX2 (0.33) HCRTR2EPHX2
SCHEMBL20233006 0.85 EPHX2 (0.35) TSHRHCRTR2EPHX2
SCHEMBL10232845 0.83 TSHR (0.53) TSHRHCRTR2ALDH1A1MAPK1KDM4E
SCHEMBL22457472 0.83 CA1 (0.41) TSHRHCRTR2EPHX2ALDH1A1MAPK1
SCHEMBL24267577 0.83 TSHR (0.53) TSHRHCRTR2ALDH1A1MAPK1KDM4E
SCHEMBL10119969 0.82 HCRTR2 (0.32) HCRTR2
SCHEMBL20756318 0.81 MEN1 (0.44) TSHRHCRTR2EPHX2ALDH1A1KDM4E
SCHEMBL20232740 0.81 KMT2A (0.40) TSHRALDH1A1MAPK1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019236-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2023-01-19 US disclosed
US-10954202-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof ABBVIE INC. (US) 2021-03-23 US disclosed
US-20210009542-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF ABBVIE INC. 2021-01-14 US disclosed
WO-2018102419-A1 COMPOUNDS CONTAINING A SULFONIC GROUP AS KAT INHIBITORS Epizyme, Inc. (US) 2018-06-07 WO disclosed
US-8034933-B2 graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis; human immunodeficiency viricides SCHERING CORPORATION (US) 2011-10-11 US disclosed
US-7442703-B2 Piperidine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-10-28 US disclosed
US-20080214575-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-09-04 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 (4 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-20230019236-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN1, PTPN2, PTPN18 TSHR 895/4885HCRTR2 3771/4885EPHX2 2705/4885
US-10954202-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof PTPN1, PTPN2, PTPN18 TSHR 895/4885HCRTR2 3771/4885EPHX2 2705/4885
US-20210009542-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN1, PTPN2, PTPN18 TSHR 895/4885HCRTR2 3771/4885EPHX2 2705/4885
US-20080214575-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS CCR5, CCR10, CXCR3 TSHR 2135/4885HCRTR2 540/4885EPHX2 1853/4885

“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.