SCHEMBL7025170

SCHEMBL7025170

N[C@@H](Cc1ccc(OP(=O)(O)OP(=O)(O)O)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.52
SLC7A5 Q01650 3/20 0.51
PTPN1 P18031 2/20 0.51
PTGS1 P23219 3/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
XIAP P98170 1/20 0.50
HIF1A Q16665 5/20 0.46
CYP3A4 P08684 3/20 0.46
ALOX15 P16050 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ABCB11 O95342 1/20 0.46
CHRM2 P08172 1/20 0.46

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
SCHEMBL29123731 1.00 PTPRC (0.52) PTPRCSLC7A5PTPN1PTGS1ITGB3
SCHEMBL29631978 0.97 PTPRC (0.50) PTPRCSLC7A5PTPN1PTGS1ITGB3
SCHEMBL273663 0.88 PTPRC (0.57) PTPRCSLC7A5PTPN1PTGS1ITGB3
SCHEMBL3626587 0.88 PTPRC (0.57) PTPRCSLC7A5PTPN1PTGS1ITGB3
SCHEMBL1152 0.88 PTPRC (0.57) PTPRCSLC7A5PTPN1PTGS1ITGB3
SCHEMBL4066744 0.88 PTPRC (0.57) PTPRCSLC7A5PTPN1PTGS1ITGB3
SCHEMBL19615883 0.87 PTPRC (0.56) PTPRCSLC7A5PTPN1PTGS1ITGB3
Phosphoric Acid SCHEMBL3476886 0.87 PTPRC (0.56) PTPRCSLC7A5PTPN1PTGS1ITGB3
SCHEMBL29567635 0.87 PTPRC (0.56) PTPRCSLC7A5PTPN1PTGS1ITGB3
SCHEMBL29613927 0.87 PTPRC (0.56) PTPRCSLC7A5PTPN1PTGS1ITGB3

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0596024-A4 LIPID CONJUGATES OF THERAPEUTIC PEPTIDES AND PROTEASE INHIBITORS. VESTAR INC (US) 1996-07-17 EP claimed
EP-0596024-A1 LIPID CONJUGATES OF THERAPEUTIC PEPTIDES AND PROTEASE INHIBITORS NeXstar Pharmaceuticals, Inc. (US) 1994-05-11 EP claimed
WO-1993001828-A1 LIPID CONJUGATES OF THERAPEUTIC PEPTIDES AND PROTEASE INHIBITORS VICAL, INC. (US) 1993-02-04 WO claimed
US-20230219946-A1 PYRIMIDIN-4(3H)-ONE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL USE THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2023-07-13 US disclosed
EP-4092024-A1 PYRIMIDINE-4(3H)-KETONE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE AND PHARMACOLOGY Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2022-11-23 EP disclosed
CN-114981268-A Pyrimidine-4 (3H) -ketone heterocyclic compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2022-08-30 CN disclosed
CN-111393459-B SHP2 inhibitor and application thereof 南京安纳康生物科技有限公司 2022-07-22 CN disclosed
US-20210154190-A1 SHP2 INHIBITOR COMPOSITIONS AND METHODS FOR TREATING CANCER Revolution Medicines, Inc. 2021-05-27 US disclosed
EP-3773590-A1 SHP2 INHIBITOR COMPOSITIONS, METHODS FOR TREATING CANCER AND METHODS FOR IDENTIFYING A SUBJECT WITH SHP2 MUTATIONS Revolution Medicines, Inc. (US) 2021-02-17 EP disclosed
CN-111393459-A SHP2 inhibitor and application thereof 南京安纳康生物科技有限公司 2020-07-10 CN disclosed
WO-2019199792-A1 SHP2 INHIBITOR COMPOSITIONS, METHODS FOR TREATING CANCER AND METHODS FOR IDENTIFYING A SUBJECT WITH SHP2 MUTATIONS Revolution Medicines, Inc. (US) 2019-10-17 WO disclosed
US-20030055018-A1 Modulation of phosphoinositide 3-kinase activity THOMAS JEFFERSON UNIVERSITY 2003-03-20 US disclosed
WO-2003006487-A2 MODULATION OF PHOSPHOINOSITIDE 3-KINASE ACTIVITY THOMAS JEFFERSON UNIVERSITY (US) 2003-01-23 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 (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-20210154190-A1 SHP2 INHIBITOR COMPOSITIONS AND METHODS FOR TREATING CANCER PTPN1, PTPN18, PTPN7 PTPRC 18/4885SLC7A5 4623/4885PTPN1 1/4885
US-20230219946-A1 PYRIMIDIN-4(3H)-ONE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL USE THEREOF PTPN5, PTPN1, JAK2 PTPRC 21/4885SLC7A5 2267/4885PTPN1 2/4885

“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.