SCHEMBL19704645

SCHEMBL19704645

COC(=O)CCSc1cccc(N)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 1/20 0.40
▸ GSTM2 P28161 1/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ HSD17B10 Q99714 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL10588609 0.86 LMNA (0.47) GSTP1GSTM2KMT2AALDH1A1MEN1
SCHEMBL24879108 0.86 KDM4E (0.43) KMT2AALDH1A1MEN1GAAHSD17B10
SCHEMBL15123545 0.80 ABL1 (0.48) GSTP1GSTM2KMT2AALDH1A1MEN1
SCHEMBL30660933 0.78 KMT2A (0.43) GSTP1GSTM2KMT2AALDH1A1MEN1
SCHEMBL18320494 0.78 KMT2A (0.43) GSTP1GSTM2KMT2AALDH1A1MEN1
SCHEMBL23977089 0.77 MAPT (0.46) GSTP1GSTM2KMT2AALDH1A1MEN1
SCHEMBL25300713 0.75 PTGS2 (0.33) KMT2AALDH1A1MEN1GAA
SCHEMBL29506060 0.74 KMT2A (0.45) GSTP1GSTM2KMT2AALDH1A1MEN1
SCHEMBL18319841 0.74 KMT2A (0.45) GSTP1GSTM2KMT2AALDH1A1MEN1
SCHEMBL24635805 0.74 GSTP1 (0.38) GSTP1GSTM2KMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4108659-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS Jacobio Pharmaceuticals Co., Ltd. (CN) 2022-12-28 — — EP disclosed
US-10858359-B2 Heterocyclic ring derivatives useful as SHP2 inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2020-12-08 — — US disclosed
US-20190127378-A1 NOVEL HETEROCYCLIC RING DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2019-05-02 — — US disclosed
WO-2017211303-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2017-12-14 — — 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-10858359-B2 Heterocyclic ring derivatives useful as SHP2 inhibitors PTPRJ, PTPN22, PTPRCAP GSTP1 1709/4885GSTM2 1578/4885KMT2A 1311/4885
US-20190127378-A1 NOVEL HETEROCYCLIC RING DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN22, PTPN1, PTPRJ GSTP1 2380/4885GSTM2 2632/4885KMT2A 1195/4885

“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.

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