SCHEMBL5607923

SCHEMBL5607923

Cc1ccc(S(=O)(=O)Nc2ccc(C[C@H](N)C(=O)O)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
HPGD P15428 2/20 0.58
MAPT P10636 2/20 0.58
LMNA P02545 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 1/20 0.56
GHSR Q92847 1/20 0.55
LIMK2 P53671 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
HDAC1 Q13547 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53

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
SCHEMBL14422985 1.00 ALDH1A1 (0.66) ALDH1A1HPGDMAPTLMNAMEN1
SCHEMBL31689516 0.88 ALDH1A1 (0.51) ALDH1A1HPGDMAPTLMNAMEN1
SCHEMBL27734636 0.88 ALDH1A1 (0.55) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL27734638 0.88 ALDH1A1 (0.55) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL5078465 0.88 HDAC1 (0.62) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL20715878 0.88 HDAC1 (0.62) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL19234913 0.88 HDAC1 (0.62) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL4935236 0.87 ALDH1A1 (0.60) ALDH1A1HPGDMAPTLMNAMEN1
SCHEMBL4935233 0.87 ALDH1A1 (0.60) ALDH1A1HPGDMAPTLMNAMEN1
SCHEMBL19234892 0.87 POLB (0.57) ALDH1A1HPGDLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 US claimed
WO-2005045430-A1 SCREENING COMBINATORIAL BEAD LIBRARIES FOR CANCER LIGANDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-05-19 WO claimed
US-20040096906-A1 Method for screening combinatorial bead library; ligands for cancer cells NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-05-20 US claimed
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 US disclosed
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 US disclosed
WO-2007082264-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-19 WO 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 (2 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-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS GLP1R, GIPR, IAPP ALDH1A1 4570/4885HPGD 2659/4885MAPT 4761/4885
US-20040096906-A1 Method for screening combinatorial bead library; ligands for cancer cells EPCAM, MKI67, FGFR3 ALDH1A1 2166/4885HPGD 3009/4885MAPT 3984/4885

“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.