SCHEMBL503584

SCHEMBL503584

CC(=O)N[C@@H](Cc1ccccc1F)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.53
KMT2A Q03164 2/20 0.53
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
ITGB2 P05107 2/20 0.47
ICAM1 P05362 2/20 0.47
ITGAL P20701 2/20 0.47
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
PTPN1 P18031 2/20 0.45
PTPN2 P17706 1/20 0.45
CDC25B P30305 1/20 0.45
CTRB1 P17538 2/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
GNPAT O15228 1/20 0.44
ALOX15 P16050 1/20 0.44
LMNA P02545 1/20 0.44
MME P08473 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
SCHEMBL503585 1.00 TNF (0.53) TNFKMT2ACTSSCTSKITGB2
SCHEMBL27501725 1.00 TNF (0.53) TNFKMT2ACTSSCTSKITGB2
SCHEMBL13956910 0.85 KMT2A (0.54) KMT2ACTSSCTSK
SCHEMBL19355107 0.85 KMT2A (0.57) KMT2ACTSSCTSKLMNA
SCHEMBL3006752 0.85 CTSS (0.55) KMT2ACTSSCTSKITGB2ICAM1
SCHEMBL19331886 0.85 KMT2A (0.57) KMT2ACTSSCTSKLMNA
SCHEMBL692549 0.84 CTSS (0.47) KMT2ACTSSCTSKITGB2ICAM1
SCHEMBL692547 0.84 CTSS (0.47) KMT2ACTSSCTSKITGB2ICAM1
SCHEMBL8815317 0.83 L3MBTL1 (0.52) TNFKMT2ACTSSCTSKITGB2
SCHEMBL20540940 0.82 ITGB2 (0.46) CTSSCTSKITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11274126-B2 pH-sensitive cyclic peptides UNIVERSITY OF RHODE ISLAND BOARD OF TRUSTEES (US) 2022-03-15 US claimed
EP-3432908-A1 pH-SENSITIVE PEPTIDES Rhode Island Council on Postsecondary Education (US) 2019-01-30 EP claimed
WO-2017165452-A1 pH-SENSITIVE PEPTIDES RHODE ISLAND COUNCIL ON POSTSECONDARY EDUCATION (US) 2017-09-28 WO claimed
US-20260001924-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME NEW YORK UNIVERSITY (US) 2026-01-01 US disclosed
US-12371461-B2 Nemo coiled coil mimics and methods of using same NEW YORK UNIVERSITY (US) 2025-07-29 US disclosed
EP-3303367-B1 STABILIZED MINIMAL COILED-COIL MIMETICS UNIV NEW YORK (US) 2025-06-18 EP disclosed
US-12290575-B2 Fluorescent compound comprising a fluorophore conjugated to a pH-triggered polypeptide UNIVERSITY OF RHODE ISLAND BOARD OF TRUSTEES (US) 2025-05-06 US disclosed
US-20240190930-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME UNIV NEW YORK (US) 2024-06-13 US disclosed
US-20240148911-A1 FLUORESCENT COMPOUND COMPRISING A FLUOROPHORE CONJUGATED TO A pH-TRIGGERED POLYPEPTIDE UNIVERSITY OF RHODE ISLAND BOARD OF TRUSTEES 2024-05-09 US disclosed
US-20240075170-A1 FLUORESCENT COMPOUND COMPRISING A FLUOROPHORE CONJUGATED TO A pH-TRIGGERED POLYPEPTIDE UNIVERSITY OF RHODE ISLAND BOARD OF TRUSTEES 2024-03-07 US disclosed
US-20240042063-A1 LINKED AND OTHER pH-TRIGGERED COMPOUNDS UNIVERSITY OF RHODE ISLAND BOARD OF TRUSTEES 2024-02-08 US disclosed
EP-1950610-B1 IMMERSION LITHOGRAPHIC COMPOSITION FOR FORMING UPPER FILM AND METHOD FOR FORMING PHOTORESIST PATTERN JSR CORP (JP) 2012-05-02 EP disclosed
US-20120028198-A1 UPPER LAYER-FORMING COMPOSITION AND PHOTORESIST PATTERNING METHOD JSR CORPORATION (JP) 2012-02-02 US disclosed
US-20100003615-A1 UPPER LAYER-FORMING COMPOSITION AND PHOTORESIST PATTERNING METHOD JSR CORPORATION (JP) 2010-01-07 US disclosed
EP-1950610-A1 COMPOSITION FOR FORMING UPPER FILM AND METHOD FOR FORMING PHOTORESIST PATTERN JSR Corporation (JP) 2008-07-30 EP disclosed
CN-1160368-C Endothelin antegon 中国人民解放军军事医学科学院毒物药 2004-08-04 CN disclosed
CN-1155612-C Endothelin antagon 中国人民解放军军事医学科学院毒物药 2004-06-30 CN disclosed
CN-1155611-C Endothelin antagon 中国人民解放军军事医学科学院毒物药 2004-06-30 CN disclosed
CN-1330076-A Endothelin antagon INST OF TOXIC MEDICINES PLA S (CN) 2002-01-09 CN disclosed
CN-1330077-A Endothelin antegon INST OF TOXIC MEDICINES PLA S (CN) 2002-01-09 CN 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 (8 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-11274126-B2 pH-sensitive cyclic peptides VIP, PHLPP1, PHLPP2 TNF 1289/4885KMT2A 4272/4885CTSS 2243/4885
US-12371461-B2 Nemo coiled coil mimics and methods of using same COIL, CALCOCO2, NCAPH TNF 1499/4885KMT2A 4091/4885CTSS 4120/4885
US-20240042063-A1 LINKED AND OTHER pH-TRIGGERED COMPOUNDS LIPA, PHOSPHO1, NGLY1 TNF 492/4885KMT2A 4050/4885CTSS 522/4885
US-20240075170-A1 FLUORESCENT COMPOUND COMPRISING A FLUOROPHORE CONJUGATED TO A pH-TRIGGERED POLYPEPTIDE NPPA, LNPEP, VIP TNF 243/4885KMT2A 4156/4885CTSS 657/4885
US-20240148911-A1 FLUORESCENT COMPOUND COMPRISING A FLUOROPHORE CONJUGATED TO A pH-TRIGGERED POLYPEPTIDE NPPA, LNPEP, VIP TNF 243/4885KMT2A 4156/4885CTSS 657/4885
US-12290575-B2 Fluorescent compound comprising a fluorophore conjugated to a pH-triggered polypeptide NPPA, LNPEP, VIP TNF 243/4885KMT2A 4156/4885CTSS 657/4885
US-20260001924-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME DDX21, PHAX, RBX1 TNF 2310/4885KMT2A 2849/4885CTSS 4503/4885
US-20240190930-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME COIL, CALCOCO2, NCAPH TNF 1495/4885KMT2A 3979/4885CTSS 4194/4885

“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.