SCHEMBL7315907

SCHEMBL7315907

[CH2]CC(=O)NS(=O)(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.57
ERBB2 P04626 5/20 0.57
KDM4E B2RXH2 3/20 0.50
PTGS2 P35354 3/20 0.50
PTGS1 P23219 2/20 0.50
CA2 P00918 2/20 0.50
P4HTM Q9NXG6 1/20 0.50
CA1 P00915 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 1/20 0.49
LARS1 Q9P2J5 1/20 0.47

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
SCHEMBL7825039 0.85 EGFR (0.54) EGFRERBB2KDM4EPTGS2PTGS1
SCHEMBL10993215 0.84 EGFR (0.60) EGFRERBB2KDM4EPTGS2PTGS1
SCHEMBL6789607 0.82 EGFR (0.58) EGFRERBB2KDM4EPTGS2PTGS1
SCHEMBL6789611 0.82 EGFR (0.58) EGFRERBB2KDM4EPTGS2PTGS1
SCHEMBL6932492 0.81 CA1 (0.53) EGFRERBB2CA2CA1MMP1
SCHEMBL10420808 0.81 EGFR (0.68) EGFRERBB2PTGS2PTGS1CA2
SCHEMBL5174597 0.81 EGFR (0.54) EGFRERBB2KDM4EPTGS2PTGS1
SCHEMBL3928657 0.81 CA1 (0.67) EGFRERBB2KDM4EPTGS2PTGS1
SCHEMBL11164400 0.81 EGFR (0.61) EGFRERBB2KDM4EPTGS2PTGS1
SCHEMBL28399551 0.81 EGFR (0.57) EGFRERBB2KDM4EPTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5726158-A INHIBITORS OF HUMAN LEUKOCYTE ELASTASE USEFUL IN TREATING TISSUE DEGENERATIVE DISEASES; TRIFLUOROMETHYL KETONE SUBSTITUTED DI-, TRI-, AND TETRA-PEPTIDE DERIVATIVES ZENECA INC. (US) 1998-03-10 US claimed
EP-0189305-B1 PEPTIDE DERIVATIVES ICI AMERICAS INC. (US) 1992-07-29 EP claimed
EP-0189305-A2 Peptide derivatives ICI AMERICAS INC. (US) 1986-07-30 EP claimed
CN-112218858-B 2, 6-Diamino-3, 4-dihydropyrimidin-4-one derivatives and their use in therapy 托马斯·黑勒戴药物研究基金会 2024-06-18 CN disclosed
EP-3781554-B1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY THOMAS HELLEDAYS STIFTELSE FOER MEDICINSK FORSKNING (SE) 2023-06-28 EP disclosed
US-20230110478-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2023-04-13 US disclosed
US-20210052587-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY MEDICINSK FORSKNING (SE) 2021-02-25 US disclosed
EP-3781554-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY Thomas Helledays stiftelse för medicinsk forskning (SE) 2021-02-24 EP disclosed
CN-112218858-A 2, 6-diamino-3, 4-dihydropyrimidin-4-one derivatives and their use in therapy 托马斯·黑勒戴药物研究基金会 2021-01-12 CN disclosed
WO-2019201991-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2019-10-24 WO disclosed
EP-0757682-B1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO (JP) 2001-06-20 EP disclosed
WO-1993021210-A1 PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS ZENECA LIMITED (GB) 1993-10-28 WO disclosed
US-5194588-A Inhibitors of human leukocyte elastase, di-, tri- and tetra-peptides ICI AMERICAS INC. (US) 1993-03-16 US disclosed
EP-0189305-B1 PEPTIDE DERIVATIVES ICI AMERICAS INC. (US) 1992-07-29 EP disclosed
US-5055450-A Di-, tri- and tetrapeptides as inhibitors of human leukocyte elastase ICI AMERICAS INC. (US) 1991-10-08 US disclosed
US-4954513-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-09-04 US disclosed
US-4910190-A Containing a nitrogen containing heterocycle ring structure ICI AMERICAS INC. (US) 1990-03-20 US disclosed
EP-0276101-A2 Substituted peptide derivatives ICI AMERICAS INC. (US) 1988-07-27 EP disclosed
CN-86101066-A Process for producing novel trifluoromethyl ketone substituted peptide derivatives 1986-11-05 CN disclosed
EP-0189305-A2 Peptide derivatives ICI AMERICAS INC. (US) 1986-07-30 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 (2 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-20230110478-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY IL2, THPO, IL6 EGFR 1565/4885ERBB2 905/4885KDM4E 2175/4885
US-20210052587-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY IL2, THPO, IL6 EGFR 1656/4885ERBB2 880/4885KDM4E 2274/4885

“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.