SCHEMBL22980400

SCHEMBL22980400

CCCCC(CC)COC(=O)CCSc1ccnnc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.49
TSHR P16473 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 7/20 0.42
CA2 P00918 2/20 0.42
MAPK1 P28482 3/20 0.39
LMNA P02545 4/20 0.39
HSD17B10 Q99714 1/20 0.39
RECQL P46063 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL22980814 0.82 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL22980271 0.80 TSHR (0.49) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL19785519 0.79 CYP3A4 (0.48) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL19785248 0.78 CYP3A4 (0.50) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL21856067 0.78 CYP3A4 (0.47) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL25270528 0.78 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL21383708 0.78 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL31057983 0.78 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL21383626 0.77 CYP3A4 (0.48) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL19785269 0.77 CYP3A4 (0.48) CYP3A4TSHRTDP1ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289753-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-09-15 US disclosed
CN-114728935-A SHP2 inhibitor IRBM股份公司 2022-07-08 CN disclosed
EP-4010335-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-06-15 EP disclosed
WO-2021028362-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2021-02-18 WO disclosed
WO-2021028362-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2021-02-18 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 (1 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-20220289753-A1 SHP2 INHIBITORS PTPN1, PTPN2, PTPN7 CYP3A4 4565/4885TSHR 1987/4885TDP1 2697/4885

“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.