SCHEMBL2455073

SCHEMBL2455073

NC(C(=O)O)c1ccco1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
POLB P06746 2/20 0.61
PTPN1 P18031 2/20 0.61
PKM P14618 1/20 0.61
PTPN7 P35236 1/20 0.61
BLM P54132 1/20 0.61
ESR2 Q92731 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
CYP2C19 P33261 2/20 0.49
ALOX5 P09917 2/20 0.46
MEN1 O00255 3/20 0.46
AGTR1 P30556 1/20 0.46
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
MIF P14174 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL29950772 1.00 KMT2A (0.61) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL15049401 1.00 KMT2A (0.61) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL3972844 0.83 KMT2A (0.50) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL16204244 0.81 KMT2A (0.50) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL10338542 0.80 KMT2A (0.48) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL28489015 0.80 KMT2A (0.50) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL28578684 0.78 POLB (0.65) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL2454068 0.78 KMT2A (0.60) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL2454069 0.78 KMT2A (0.60) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL335985 0.78 KMT2A (0.60) KMT2APOLBPTPN1PKMPTPN7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0606881-B1 Cyclic pentapeptides having a beta-turn and a gamma-turn TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-05-12 EP claimed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
US-4043991-A Preparation of peptides and cephalosporins SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-08-23 US claimed
WO-2024018354-A1 A PROCESS FOR THE SYNTHESIS OF 4-ALKOXY-3-HYDROXYPICOLINIC ACIDS AND INTERMEDIATES THEREOF PI INDUSTRIES LTD. (IN) 2024-01-25 WO disclosed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-10851119-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2020-12-01 US disclosed
US-10730906-B2 Multi-step synthesis of templated molecules NUEVOLUTIONS A/S (DK) 2020-08-04 US disclosed
US-10730906-B2 Multi-step synthesis of templated molecules NUEVOLUTIONS A/S (DK) 2020-08-04 US disclosed
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2020-05-21 US disclosed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 EP disclosed
WO-1993025580-A1 CYCLIC PEPTIDES THAT MODULATE ENDOTHELIN ACTIVITY IMMUNOPHARMACEUTICS, INC. (US) 1993-12-23 WO disclosed
EP-0436189-B1 ENDOTHELIN ATAGONISTIC CYCLIC PENTAPEPTIDES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-07-28 EP disclosed
EP-0436189-A1 Endothelin atagonistic cyclic pentapeptides BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-07-10 EP disclosed
US-4684642-A BACTERICIDES PFIZER INC. (US) 1987-08-04 US disclosed
US-4395412-A 7α-Methoxycephalosporins TOYAMA CHEMICAL CO., LTD. (JP) 1983-07-26 US disclosed
US-4321265-A 7α-Methoxycephalosporins TOYAMA CHEMICAL CO., LTD. (JP) 1982-03-23 US disclosed
US-4061852-A BACTERICIDE E. R. SQUIBB & SONS, INC. (US) 1977-12-06 US disclosed
US-4043991-A Preparation of peptides and cephalosporins SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-08-23 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 (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-10851119-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR KMT2A 1526/4885POLB 4516/4885PTPN1 2224/4885
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES CD22, BRDT, BCR KMT2A 1526/4885POLB 4516/4885PTPN1 2224/4885
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF PAICS, LNPEP, DNPEP KMT2A 1875/4885POLB 3976/4885PTPN1 1154/4885
US-10730906-B2 Multi-step synthesis of templated molecules COASY, DAP3, EMG1 KMT2A 2387/4885POLB 70/4885PTPN1 4678/4885

“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.