SCHEMBL4277520

SCHEMBL4277520

COCCCOC(=O)CN

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.43
ALDH1A1 P00352 3/20 0.40
NAAA Q02083 1/20 0.39
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
DGKA P23743 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33

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
SCHEMBL5496994 0.88 HTR2C (0.45) HTR2CALDH1A1NAAATSHRTDP1
SCHEMBL2883395 0.86
Hydrochloric Acid SCHEMBL28234487 0.85 HTR2C (0.44) HTR2CALDH1A1NAAATSHRTDP1
Hydrochloric Acid SCHEMBL28885388 0.84 TSHR (0.41) HTR2CALDH1A1NAAATSHRMEN1
SCHEMBL6682800 0.83 HTR2C (0.50) HTR2CALDH1A1NAAATSHRTDP1
SCHEMBL16917384 0.81 MGAM (0.46) ALDH1A1NAAATSHRTDP1MEN1
SCHEMBL27869299 0.81 ADRA2A (0.50) HTR2CALDH1A1NAAATSHRTDP1
SCHEMBL12157555 0.80 MGAM (0.52) HTR2CALDH1A1NAAATSHRTDP1
SCHEMBL20801668 0.80 TSHR (0.38) HTR2CALDH1A1TSHRDGKAKDM4E
SCHEMBL2593332 0.80 TSHR (0.38) HTR2CALDH1A1TSHRDGKAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3627988-B1 STRUCTURALLY-COLORED ARTICLES AND METHODS FOR MAKING AND USING STRUCTURALLY-COLORED ARTICLES NIKE INNOVATE CV (US) 2021-01-13 EP disclosed
US-20200055825-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. 2020-02-20 US disclosed
CN-100553639-C Be used for the treatment of thrombotic boronic acid polyvalent salts TRIGEN LTD (GB) 2009-10-28 CN disclosed
US-20090130021-A1 Methods, products and uses involving platelets and/or the vasculature MUNCH GOTZ 2009-05-21 US disclosed
CN-101392002-A Boronic acid salts and use thereof in the preparation of medicaments for treating thrombosis TRIGEN LTD (GB) 2009-03-25 CN disclosed
CN-100447151-C Borate and application thereof in preparing medicament for treating thrombosis TRIGEN LTD (GB) 2008-12-31 CN disclosed
EP-1824979-A2 METHODS, PRODUCTS AND USES INVOLVING PLATELETS AND/OR THE VASCULATURE Trigen GmbH (DE) 2007-08-29 EP disclosed
WO-2006061650-A2 METHODS, PRODUCTS AND USES INVOLVING PLATELETS AND/OR THE VASCULATURE TRIGEN GMBH (DE) 2006-06-15 WO disclosed
CN-1146575-C Peptidyl heterocycles useful in the treatment of thrombin related disorders ��λҩƷ��˾ 2004-04-21 CN disclosed
EP-0833839-B1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMA CORP (US) 2003-01-08 EP disclosed
EP-0960108-A1 MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1999-12-01 EP disclosed
US-5827860-A Peptidyl heterocycles useful in the treatment of thrombin related disorders ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-27 US disclosed
US-5827866-A ANTICOAGULANTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-27 US disclosed
CN-1192747-A Peptidyl heterocyclic compounds for the treatment of thrombin-related diseases ORTHO PHARMA CORP (US) 1998-09-09 CN disclosed
WO-1998033788-A1 MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1998-08-06 WO disclosed
EP-0833839-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-04-08 EP disclosed
WO-1996040742-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATEDDISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO disclosed
WO-1996040741-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO disclosed
WO-1996040748-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO disclosed
US-5523308-A SERINE PROTEASES INHIBITORS; ORAL ANTICOAGULANTS; CHEMICAL INTERMEDIATES; DIPEPTIDES ORTHO PHARMACEUTICAL CORPORATION 1996-06-04 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 (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-20200055825-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, MDM2, ESRRA HTR2C 1902/4885ALDH1A1 514/4885NAAA 3630/4885

“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.