SCHEMBL92967

SCHEMBL92967

Cc1c(Cl)cccc1CO

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.53
CD274 Q9NZQ7 2/20 0.53
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
PNMT P11086 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
P2RX7 Q99572 7/20 0.39
MAPT P10636 1/20 0.39
CD38 P28907 1/20 0.39
IDO1 P14902 1/20 0.38

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
SCHEMBL6424004 0.83 PDCD1 (0.64) PDCD1CD274CYP1A2CYP2A6
SCHEMBL31396692 0.82 CD274 (0.65) PDCD1CD274LMNAHPGDALOX12
SCHEMBL79911 0.79 ALDH1A1 (0.41) PDCD1CD274ALDH1A1LMNAHPGD
SCHEMBL18507940 0.79 PDCD1 (0.41) PDCD1CD274ALDH1A1LMNAHPGD
SCHEMBL3789998 0.79 ALDH1A1 (0.48) ALDH1A1LMNAHPGDALOX12PNMT
SCHEMBL3119523 0.79 ALDH1A1 (0.48) ALDH1A1LMNAHPGDALOX12PNMT
SCHEMBL9784664 0.77 ALDH1A1 (0.46) ALDH1A1LMNAHPGDALOX12PNMT
SCHEMBL5066645 0.77 ALDH1A1 (0.46) ALDH1A1LMNAHPGDALOX12PNMT
SCHEMBL724659 0.77 ALDH1A1 (0.46) ALDH1A1LMNAHPGDALOX12PNMT
SCHEMBL1636099 0.77 PNMT (0.64) ALDH1A1LMNAHPGDALOX12PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111886219-B Immunosuppressant, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2023-04-25 CN disclosed
CN-111886219-A Immunosuppressant, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2020-11-03 CN disclosed
US-10807994-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2020-10-20 US disclosed
WO-2020011209-A1 IMMUNOSUPPRESSIVE AGENT, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 上海和誉生物医药科技有限公司 2020-01-16 WO disclosed
WO-2020011209-A1 IMMUNOSUPPRESSIVE AGENT, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 上海和誉生物医药科技有限公司 2020-01-16 WO disclosed
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
WO-2017156181-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed
EP-2432321-B1 THIAZOLOPYRIMIDINONE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2017-06-14 EP disclosed
EP-2432321-B1 THIAZOLOPYRIMIDINONE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2017-06-14 EP disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-1569905-A2 INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-09-07 EP disclosed
WO-2004052858-A2 INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2004-06-24 WO disclosed
US-4537720-A N-substituted-2-(R)-(sulfinic acid)-3-(S)-(acylamino)-4-oxo-azetidines and process ELI LILLY AND COMPANY (US) 1985-08-27 US disclosed
US-4477660-A 7-(S)-Acylaminocephalosporin sulfones and process ELI LILLY AND COMPANY (US) 1984-10-16 US disclosed
US-4474879-A Process for 3-hydroxymethyl cephalosporin sulfones ELI LILLY AND COMPANY (US) 1984-10-02 US disclosed
US-4459405-A Desacetylcephalosporin sulfones ELI LILLY AND COMPANY (US) 1984-07-10 US disclosed
EP-0109816-A1 N-substituted-2-(R)-(sulfinic acid)-3-(S)-(acylamido)-4-oxo-azetidines and process ELI LILLY AND COMPANY (US) 1984-05-30 EP disclosed
EP-0109301-A2 7-(S)-acylaminocephalosporin sulfones and process ELI LILLY AND COMPANY (US) 1984-05-23 EP disclosed
EP-0109300-A2 Desacetylcephalosporin sulfones ELI LILLY AND COMPANY (US) 1984-05-23 EP disclosed
US-4436596-A N-Substituted-2-(R)-(sulfinic acid)-3-(S)-(acylamido)-4-oxo-azetidines and process ELI LILLY AND COMPANY (US) 1984-03-13 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 (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-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 PDCD1 696/4885CD274 1944/4885ALDH1A1 2869/4885
US-10807994-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, CCNE1 PDCD1 1769/4885CD274 3391/4885ALDH1A1 1113/4885

“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.