Sugi Predict

Sugi Predict / Compounds / SCHEMBL4602946

SCHEMBL4602946

SCHEMBL4602946

NC(=O)Cn1ccc(=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CYP2C19 P33261 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ APEX1 P27695 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ TYR P14679 1/20 0.33
▸ DOHH Q9BU89 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ AKR1B1 P15121 1/20 0.32

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
SCHEMBL11233575 0.80 CA2 (0.46) CA12CA1CA2CA9CYP2C19
SCHEMBL4602941 0.77 SMN1; SMN2 (0.37) CA12CA1CA2CA9PDE4B
SCHEMBL16160299 0.77 KMT2A (0.42) CA12CA1CA2CA9CYP2C19
SCHEMBL1259804 0.75 — —
SCHEMBL7141455 0.73 SMN1; SMN2 (0.37) PDE4BSMN1; SMN2KMT2ARAB9AKDM4E
SCHEMBL28574383 0.72 CA12 (0.51) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL7896851 0.71 KDM4E (0.57) CA12SMN1; SMN2KMT2AHPGDRAB9A
SCHEMBL30211545 0.67 CA12 (0.46) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL13339153 0.67 KDM4E (0.63) CYP2C19KMT2ATDP1BLMTYR
SCHEMBL4375225 0.67 CA12 (0.47) CA12CA1CA2CA9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4283333-A α-[4-Oxoazetidin-1-yl]-acetic acid compounds useful as intermediates in preparing 1-oxadethiacephalosporins SHIONOGI & CO., LTD. (JP) 1981-08-11 — — US claimed
EP-1768978-B1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-07-09 — — EP disclosed
US-20080058332-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer ASTRAZENECA AB (SE) 2008-03-06 — — US disclosed
US-4171362-A 7-Acylamino-3-(sulfaminoalkyl substituted tetrazolylthiomethyl)cephalosporins antibacterial compositions containing them and methods of treating bacterial infections with them SMITHKLINE CORPORATION (US) 1979-10-16 — — US disclosed
US-4171368-A 7-Acylamino-3-(sulfaminoalkyl substituted tetrazolylthiomethyl)cephalosporins, antibacterial compositions containing them and methods of treating bacterial infections with them SMITHKLINE CORPORATION (US) 1979-10-16 — — US disclosed
US-4171433-A 7-Amino-3-(sulfaminoalkyl substituted tetrazolylthiomethyl)cephalosporin intermediates for preparing 7-acylamino cephalosporins SMITHKLINE CORPORATION (US) 1979-10-16 — — US disclosed
US-4153693-A 1,4-Dihydro-4-oxo-pyridylacetamido cephalosporins and their utilization as medicinal agents for combating bacterial infections MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-05-08 — — US disclosed
US-4138556-A ANTIBIOTICS, BACTERICIDES SMITHKLINE CORPORATION (US) 1979-02-06 — — US disclosed
US-4130644-A BACTERICIDE SMITHKLINE CORPORATION (US) 1978-12-19 — — US disclosed
US-4126682-A 7-ACYL-3-(CARBOXYALKYL AND CARBAMOYLALKYL SUBSTITUTED OXADIAZOLYLTHIOMETHYL) CEPHALOSPORINS AND ANTIBACTERIAL COMPOSITIONS AND METHODS EMPLOYING THEM SMITHKLINE CORPORATION (US) 1978-11-21 — — US disclosed
US-4112088-A BACTERICIDE SMITHKLINE CORPORATION (US) 1978-09-05 — — US disclosed
US-4096256-A ANTIBIOTICS SMITHKLINE CORPORATION (US) 1978-06-20 — — US disclosed
US-4068073-A BACTERICIDES SMITHKLINE CORPORATION (US) 1978-01-10 — — US disclosed
US-4067880-A SULFOALKYL-OXADIAZOLE THIOLS SMITHKLINE CORPORATION (US) 1978-01-10 — — US disclosed
US-4066761-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1978-01-03 — — US disclosed
US-4059591-A Ureidoalkyl substituted tetrazole thiol intermediates for preparing cephalosporins SMITHKLINE CORPORATION (US) 1977-11-22 — — US disclosed
US-4041162-A ANTIBIOTICS, BACTERICIDES SMITHKLINE CORPORATION (US) 1977-08-09 — — US disclosed
US-4034092-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1977-07-05 — — US disclosed
US-4025626-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1977-05-24 — — US disclosed
US-3989687-A ANTIBACTERIAL RICHARDSON-MERRELL INC. (US) 1976-11-02 — — 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-20080058332-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PIK3CA, TYMP, PIK3CB CA12 4731/4885CA1 3859/4885CA2 2096/4885

“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.