SCHEMBL2058336

SCHEMBL2058336

O=[N+]([O-])c1ccc(CO[PH](=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.58
AKR1C3 P42330 1/20 0.56
TSHR P16473 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
CACNA1C Q13936 1/20 0.48
MAOB P27338 1/20 0.48
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
Butane SCHEMBL8720911 0.94 IDO1 (0.51) IDO1AKR1C3TSHRLOXL2ALDH1A1
SCHEMBL2058333 0.85 IDO1 (0.61) IDO1AKR1C3TSHRLOXL2ALDH1A1
Methane SCHEMBL27339910 0.81 TSHR (0.54) IDO1AKR1C3TSHRLOXL2ALDH1A1
SCHEMBL27850481 0.80 F2 (0.54) TSHRALDH1A1MEN1MAPTALOX15
SCHEMBL7761382 0.79 IDO1 (0.54) IDO1AKR1C3TSHRLOXL2ALDH1A1
SCHEMBL6839686 0.77 IDO1 (0.56) IDO1AKR1C3TSHRLOXL2ALDH1A1
SCHEMBL7769668 0.77 IDO1 (0.66) IDO1AKR1C3TSHRLOXL2ALDH1A1
SCHEMBL12417032 0.77 IDO1 (0.66) IDO1AKR1C3TSHRLOXL2ALDH1A1
SCHEMBL37463 0.77 IDO1 (0.70) IDO1AKR1C3TSHRLOXL2ALDH1A1
SCHEMBL8062311 0.77 IDO1 (0.70) IDO1AKR1C3TSHRLOXL2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118339172-A Phosphonic acid compounds and prodrugs thereof, preparation method and application thereof 上海海和药物研究开发股份有限公司 2024-07-12 CN disclosed
US-11801315-B2 Radioligands for myelin CASE WESTERN RESERVE UNIVERSITY (US) 2023-10-31 US disclosed
EP-4259145-A1 ALK-5 INHIBITORS AND USES THEREOF Sumitomo Pharma Oncology, Inc. (US) 2023-10-18 EP disclosed
US-11746103-B2 ALK-5 inhibitors and uses thereof SUMITOMO PHARMA ONCOLOGY, INC. (US) 2023-09-05 US disclosed
CN-116569083-A Laminated film for liquid crystal polarizing film, surface protective film for liquid crystal polarizing film, laminate with liquid crystal polarizing film, and image display device comprising liquid crystal polarizing film 三菱化学株式会社 2023-08-08 CN disclosed
CN-116546986-A ALK-5 inhibitors and uses thereof 住友制药肿瘤公司 2023-08-04 CN disclosed
CN-116547144-A Adhesive composition for coated polarizing element, adhesive sheet for image display device constituent member, adhesive sheet with release film, adhesive sheet with image display device constituent member, laminate, coated polarizing element with adhesive layer, adhesive sheet with polarizing element, and image display device 三菱化学株式会社 2023-08-04 CN disclosed
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
US-20230201382-A1 RADIOLIGANDS FOR MYELIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-06-29 US disclosed
CN-116034140-A Compound, composition for anisotropic dye film comprising same, anisotropic dye film, and optical element 三菱化学株式会社 2023-04-28 CN disclosed
US-6495673-B1 EXPRESSION LIBRARY PRODUCED BY MUTAGENESIS MEDICAL RESEARCH COUNCIL (GB) 2002-12-17 US disclosed
US-6184012-B1 LINKING ENZYME TO SUBSTRATE FOR THAT ENZYME, REACTING TO PRODUCE PRODUCT WHICH IS STILL LINKED TO ENZYME, THEN ISOLATING ENZYME BY SELECTIVELY ISOLATING PRODUCT MEDICAL RESEARCH COUNCIL (GB) 2001-02-06 US disclosed
EP-0895536-A2 ISOLATION OF ENZYMES MEDICAL RESEARCH COUNCIL (GB) 1999-02-10 EP disclosed
US-5858296-A A BIOLOGICALLY ACTIVE MOLECULE FORMED BY POLYMERIZATION OF FUNCTIONAL MONOMERS AROUND A TEMPLATE MOLECULE THAT EXHIBITS DRUG ACTIVITY, REMOVAL OF TEMPLATE AND POLYMERIZATION OF SECOND CLASS OF MONOMER IN THE VOIDS LEFT BY TEMPLATE YISSUM RESEARCH DEVELOPMENT CO. OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1999-01-12 US disclosed
WO-1997040141-A2 ISOLATION OF ENZYMES MEDICAL RESEARCH COUNCIL (GB) 1997-10-30 WO disclosed
US-5630978-A POLYMERIZATION OF FUNCTIONAL MONOMERS AROUND A BIOLOGICALLY ACTIVE TEMPLATE MOLECULE, REMOVAL OF TEMPLATE TO LEAVE A VOID, THEN POLYMERIZATION OF OTHER MONOMER(S) IN THE VOID YISSUM RESEARCH DEVELOPMENT CO. OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1997-05-20 US disclosed
WO-1996040822-A1 PREPARATION OF BIOLOGICALLY ACTIVE MOLECULES BY MOLECULAR IMPRINTING YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (US) 1996-12-19 WO disclosed
US-5520710-A Cleaner burning and cetane enhancing diesel fuel supplements Olah, George A. (US) 1996-05-28 US disclosed
US-5486559-A CHARGE TRANSFER ABSORPTION BAND FOR DOPANTS AKZO NOBEL NV (NL) 1996-01-23 US disclosed
EP-0639786-A1 Optically non-linear active waveguiding material comprising donor and acceptor groups-containing triphenylcarbinols Akzo Nobel N.V. (NL) 1995-02-22 EP 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-20230201382-A1 RADIOLIGANDS FOR MYELIN MAG, PMP22, MYT1 IDO1 2596/4885AKR1C3 3401/4885TSHR 721/4885
US-11801315-B2 Radioligands for myelin MAG, PMP22, MYT1 IDO1 3999/4885AKR1C3 4400/4885TSHR 275/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R IDO1 554/4885AKR1C3 515/4885TSHR 15/4885
US-11746103-B2 ALK-5 inhibitors and uses thereof ACVR1, ALK, ACVRL1 IDO1 1145/4885AKR1C3 144/4885TSHR 506/4885

“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.