SCHEMBL21062809

SCHEMBL21062809

OB(O)c1ccc(O)c(Cl)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 2/20 0.50
TSHR P16473 4/20 0.37
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
HSP90AA1 P07900 1/20 0.33
ENPP2 Q13822 1/20 0.33
DRD2 P14416 2/20 0.33
DRD1 P21728 2/20 0.33
DRD5 P21918 2/20 0.33
DRD3 P35462 2/20 0.33
DRD4 P21917 1/20 0.32
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
ERN1 O75460 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CA1 P00915 1/20 0.30

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
SCHEMBL30788420 1.00 CYP3A4 (0.50) CYP3A4MAPK1TSHRHSD17B10HPGD
SCHEMBL20742289 0.81 CYP3A4 (0.41) CYP3A4MAPK1TSHRHSD17B10ENPP2
SCHEMBL29954987 0.78 TSHR (0.52) CYP3A4MAPK1TSHRHSD17B10HPGD
SCHEMBL1125157 0.78 TSHR (0.52) CYP3A4MAPK1TSHRHSD17B10HPGD
SCHEMBL7743436 0.78 CYP3A4 (0.75) CYP3A4MAPK1TSHRHSD17B10HPGD
SCHEMBL68064 0.78 CYP3A4 (0.75) CYP3A4MAPK1TSHRHSD17B10HPGD
SCHEMBL31392414 0.78 CYP3A4 (0.75) CYP3A4MAPK1TSHRHSD17B10HPGD
SCHEMBL3956911 0.77 CYP3A4 (0.46) CYP3A4MAPK1TSHRENPP2
SCHEMBL29951931 0.77 CYP3A4 (0.46) CYP3A4MAPK1TSHRENPP2
SCHEMBL30511937 0.75 CYP3A4 (0.34) CYP3A4TSHRENPP2ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240101577-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. 2024-03-28 US disclosed
CN-111433205-B Polycyclic compounds as allosteric SHP2 inhibitors 锐新医药公司 2024-01-19 CN disclosed
US-11673901-B2 Polycyclic compounds as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2023-06-13 US disclosed
US-11634435-B2 2023-04-25 US disclosed
US-20200407372-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. 2020-12-31 US disclosed
EP-3724189-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2020-10-21 EP disclosed
CN-111433205-A Polycyclic compounds as allosteric SHP2 inhibitors 锐新医药公司 2020-07-17 CN disclosed
WO-2019118909-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2019-06-20 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 (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-11673901-B2 Polycyclic compounds as allosteric SHP2 inhibitors PTPN18, PTPN1, PTPRJ CYP3A4 4562/4885MAPK1 440/4885TSHR 1782/4885
US-20240101577-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN18, PTPN1, PTPRJ CYP3A4 4562/4885MAPK1 440/4885TSHR 1782/4885
US-11634435-B2 PTPN18, PTPN6, PTPN5 CYP3A4 4770/4885MAPK1 570/4885TSHR 2047/4885
US-20200407372-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN18, PTPN1, PTPRJ CYP3A4 4562/4885MAPK1 440/4885TSHR 1782/4885

“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.