SCHEMBL21631767

SCHEMBL21631767

O=c1ccc2cc(CF)c(O)c(CF)c2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 7/20 0.51
▸ GAA P10253 3/20 0.50
▸ MGAM O43451 2/20 0.50
▸ SI P14410 2/20 0.50
▸ MGAM2 Q2M2H8 2/20 0.50
▸ KDM4E B2RXH2 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ ALOX15 P16050 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ PRKD3 O94806 1/20 0.49
▸ EGFR P00533 1/20 0.49
▸ PRKCG P05129 1/20 0.49
▸ PRKCB P05771 1/20 0.49

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
SCHEMBL11323167 0.75 SRD5A1 (0.69) MCL1GAAMGAMSIMGAM2
SCHEMBL16124787 0.73 MCL1 (0.54) MCL1GAAMGAMSIMGAM2
SCHEMBL15171956 0.72 MCL1 (0.58) MCL1GAAMGAMSIMGAM2
SCHEMBL4658019 0.69 GAA (0.75) MCL1GAAMGAMSIMGAM2
SCHEMBL668745 0.67 GAA (0.61) MCL1GAAMGAMSIMGAM2
SCHEMBL30776763 0.67 SRD5A1 (0.64) MCL1GAAMGAMSIMGAM2
SCHEMBL29363321 0.67 GAA (0.61) MCL1GAAMGAMSIMGAM2
Daphnetin SCHEMBL29612544 0.66 MCL1 (1.00) MCL1GAAMGAMSIMGAM2
Daphnetin SCHEMBL128212 0.66 MCL1 (1.00) MCL1GAAMGAMSIMGAM2
SCHEMBL15171965 0.66 CA12 (0.63) MCL1GAAMGAMSIMGAM2

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
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 — — US disclosed
US-20230146795-A1 ENHANCEMENT OF ANTI-TUMOR ACTIVITY OF SHP2 INHIBITOR PYRIMIDINONE IN COMBINATION WITH NOVEL CANCER MEDICINES IN CANCERS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-05-11 — — US disclosed
US-20230049719-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-02-16 — — US disclosed
EP-4017855-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS Otsuka Pharmaceutical Co., Ltd. (JP) 2022-06-29 — — EP disclosed
CN-114206885-A Pyrazolo [3,4-B ] pyrazine SHP2 phosphatase inhibitors 大冢制药株式会社 2022-03-18 — — CN disclosed
WO-2021149817-A1 Enhancement of anti-tumor activity of SHP2 inhibitor pyrimidinone in combination with novel cancer medicines in cancers TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-07-29 — — WO disclosed
EP-3827009-A1 HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 Taiho Pharmaceutical Co., Ltd. (JP) 2021-06-02 — — EP disclosed
US-20210107908-A1 PHARMACEUTICAL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-15 — — US disclosed
CN-112513050-A Heterocyclic compounds inhibiting SHP2 activity 大鹏药品工业株式会社 2021-03-16 — — CN disclosed
WO-2021033153-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-25 — — WO disclosed
EP-3759111-A1 PHARMACEUTICAL COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2021-01-06 — — EP disclosed
CN-111902415-A Pharmaceutical compounds 大冢制药株式会社 2020-11-06 — — CN disclosed
WO-2020022323-A1 HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-01-30 — — 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-20210107908-A1 PHARMACEUTICAL COMPOUNDS MAPT, CYP3A5, SLC5A1 MCL1 1360/4885GAA 878/4885MGAM 2409/4885
US-20230146795-A1 ENHANCEMENT OF ANTI-TUMOR ACTIVITY OF SHP2 INHIBITOR PYRIMIDINONE IN COMBINATION WITH NOVEL CANCER MEDICINES IN CANCERS PTPN5, PTPN7, PTPN1 MCL1 452/4885GAA 1969/4885MGAM 4285/4885
US-20230049719-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS PTPN5, PTPRZ1, PTPN1 MCL1 616/4885GAA 2268/4885MGAM 3714/4885
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 PTPN1, PTPN9, PTPN7 MCL1 308/4885GAA 3440/4885MGAM 4110/4885

“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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