SCHEMBL18320508

SCHEMBL18320508

FC(F)(F)Oc1ncccc1S

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.41
COPS5 Q92905 1/20 0.41
DHODH Q02127 1/20 0.38
NFE2L2 Q16236 2/20 0.35
TRPV4 Q9HBA0 1/20 0.35
P2RY1 P47900 2/20 0.34
TYK2 P29597 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
P2RY2 P41231 1/20 0.34
P2RY14 Q15391 1/20 0.34
KIF11 P52732 1/20 0.33

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
SCHEMBL31184150 1.00 PSMD14 (0.41) PSMD14COPS5DHODHNFE2L2TRPV4
SCHEMBL18726968 0.82 SCN9A (0.43) PSMD14COPS5NFE2L2
SCHEMBL15473322 0.77 CBFB (0.42) DHODHP2RY1TLR7
SCHEMBL30785493 0.75 TLR7 (0.47) DHODHP2RY1TYK2TLR7ALDH1A1
SCHEMBL21384474 0.75 TLR7 (0.37) DHODHTLR7ALDH1A1
SCHEMBL2301288 0.75 KDM4E (0.38) DHODHTYK2TLR7ALDH1A1MAPT
SCHEMBL18320509 0.75 TLR7 (0.47) DHODHP2RY1TYK2TLR7ALDH1A1
SCHEMBL16887439 0.75 NOS3 (0.43) DHODH
SCHEMBL30319978 0.75 KDM4E (0.38) DHODHTYK2TLR7ALDH1A1MAPT
SCHEMBL25154251 0.75 P2RY1 (0.47) DHODHTRPV4P2RY1P2RY2P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112625028-A Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2021-04-09 CN disclosed
CN-107922388-B Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2020-12-29 CN disclosed
CN-107787323-B Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2020-09-01 CN disclosed
EP-3310771-B1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2020-07-22 EP disclosed
EP-3310774-B1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2020-04-29 EP disclosed
US-10308660-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2019-06-04 US disclosed
US-10308660-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2019-06-04 US disclosed
US-10287266-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2019-05-14 US disclosed
US-10287266-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2019-05-14 US disclosed
US-20180251471-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2018-09-06 US disclosed
US-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-07-05 US disclosed
US-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-07-05 US disclosed
US-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-07-05 US disclosed
EP-3310771-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 Novartis AG (CH) 2018-04-25 EP disclosed
EP-3310774-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 Novartis AG (CH) 2018-04-25 EP disclosed
WO-2016203405-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2016-12-22 WO disclosed
WO-2016203406-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2016-12-22 WO disclosed
WO-2016203405-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2016-12-22 WO disclosed
WO-2016203406-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2016-12-22 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-20180251471-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN3, PTPN1, PTPN2 PSMD14 3481/4885COPS5 731/4885DHODH 4418/4885
US-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN2 PSMD14 3590/4885COPS5 688/4885DHODH 4361/4885
US-10308660-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN3, PTPN1, PTPN2 PSMD14 3481/4885COPS5 731/4885DHODH 4418/4885
US-10287266-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN1, PTPN3, PTPN2 PSMD14 3541/4885COPS5 729/4885DHODH 4364/4885

“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.