SCHEMBL4169003

SCHEMBL4169003

O=C(OCc1ccccc1)[C@H](Cc1ccccc1)NCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.60
ITGB7 P26010 2/20 0.60
TRPM8 Q7Z2W7 1/20 0.54
TACR1 P25103 3/20 0.53
ACE P12821 1/20 0.52
POLB P06746 2/20 0.52
S1PR4 O95977 1/20 0.52
MAPT P10636 1/20 0.52
ATM Q13315 1/20 0.51
MBTPS1 Q14703 1/20 0.51
TYR P14679 1/20 0.50
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
CTRB1 P17538 2/20 0.49
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
PSMB5 P28074 1/20 0.48

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
SCHEMBL20394533 1.00 ITGA4 (0.60) ITGA4ITGB7TRPM8TACR1ACE
SCHEMBL5887603 0.92 ITGA4 (0.54) ITGA4ITGB7TRPM8TACR1ACE
SCHEMBL5887605 0.92 ITGA4 (0.54) ITGA4ITGB7TRPM8TACR1ACE
SCHEMBL5887764 0.92 ITGA4 (0.54) ITGA4ITGB7TRPM8TACR1ACE
SCHEMBL5887767 0.92 ITGA4 (0.54) ITGA4ITGB7TRPM8TACR1ACE
SCHEMBL2855310 0.92 ITGA4 (0.54) ITGA4ITGB7TRPM8TACR1ACE
SCHEMBL2855306 0.92 ITGA4 (0.54) ITGA4ITGB7TRPM8TACR1ACE
SCHEMBL1799032 0.87 ITGA4 (0.48) ITGA4ITGB7TRPM8TACR1POLB
SCHEMBL1799033 0.87 ITGA4 (0.48) ITGA4ITGB7TRPM8TACR1POLB
SCHEMBL28138481 0.87 ITGA4 (0.54) ITGA4ITGB7TACR1ACEPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11033577-B2 Polymer conjugate of hexa-coordinated platinum complex NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2021-06-15 US disclosed
CN-108026271-B Polymer conjugate of 6-coordinate platinum complex 日本化药株式会社 2021-03-12 CN disclosed
EP-3351580-B1 POLYMER CONJUGATE OF HEXA-COORDINATED PLATINUM COMPLEX NIPPON KAYAKU KK (JP) 2021-02-24 EP disclosed
US-10596191-B2 Polymer conjugate of hexa-coordinated platinum complex NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2020-03-24 US disclosed
US-20190282612-A1 Polymer Conjugate Of Hexa-Coordinated Platinum Complex NIPPON KAYAKU KK (JP) 2019-09-19 US disclosed
US-20180250332-A1 Polymer Conjugate Of Hexa-Coordinated Platinum Complex NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2018-09-06 US disclosed
EP-3351580-A1 POLYMER CONJUGATE OF HEXA-COORDINATED PLATINUM COMPLEX Nippon Kayaku Kabushiki Kaisha (JP) 2018-07-25 EP disclosed
US-8309766-B2 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof Obschestvo S. Organichennoi Otvetstvennostiyu Pharmenterprises (RU) 2012-11-13 US disclosed
US-20090111874-A1 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU PHARMENTERPRISES (RU) 2009-04-30 US disclosed
EP-0970066-A1 AMINOEPOXIDES FROM AMINOALDEHYDES AND IN-SITU FORMED HALOMETHYL ORGANOMETALLIC REAGENT G.D. SEARLE & CO. (US) 2000-01-12 EP disclosed
EP-0813519-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-12-29 EP disclosed
EP-0804410-A1 METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
WO-1997018205-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-05-22 WO disclosed
WO-1997018190-A1 N-PROTECTED/N-SUBSTITUTED-BETA-AMINO HYDROXY SULFONATES G.D. SEARLE & CO. (US) 1997-05-22 WO disclosed
EP-0762880-A1 RETROVIRAL PROTEASE INHIBITOR COMBINATIONS G.D. SEARLE & CO. (US) 1997-03-19 EP disclosed
US-5583238-A Method for making intermediates useful in synthesis of retroviral protease inhibitors G. D. SEARLE & CO. (US) 1996-12-10 US disclosed
WO-1996028465-A1 HETEROCYCLECARBONYL AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 WO disclosed
WO-1996022275-A1 METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES G.D. SEARLE & CO. (US) 1996-07-25 WO disclosed
WO-1995033464-A2 RETROVIRAL PROTEASE INHIBITOR COMBINATIONS G.D. SEARLE & CO. (US) 1995-12-14 WO disclosed
WO-1995006061-A1 RETROVIRAL PROTEASE INHIBITORS AND COMBINATIONS THEREOF G.D. SEARLE & CO. (US) 1995-03-02 WO 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 (5 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-10596191-B2 Polymer conjugate of hexa-coordinated platinum complex DCLRE1A, XPA, FPGS ITGA4 3727/4885ITGB7 3225/4885TRPM8 4711/4885
US-20180250332-A1 Polymer Conjugate Of Hexa-Coordinated Platinum Complex DCLRE1A, XPA, FPGS ITGA4 3727/4885ITGB7 3225/4885TRPM8 4711/4885
US-11033577-B2 Polymer conjugate of hexa-coordinated platinum complex DCLRE1A, XPA, FPGS ITGA4 3727/4885ITGB7 3225/4885TRPM8 4711/4885
US-20190282612-A1 Polymer Conjugate Of Hexa-Coordinated Platinum Complex DCLRE1A, XPA, FPGS ITGA4 3727/4885ITGB7 3225/4885TRPM8 4711/4885
US-20090111874-A1 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof PAH, MAOA, APEH ITGA4 3931/4885ITGB7 2893/4885TRPM8 4016/4885

“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.