Sugi Predict

Sugi Predict / Compounds / SCHEMBL29197230

SCHEMBL29197230

SCHEMBL29197230

Cc1cc(NC(=O)OC(C)(C)C)ccc1Oc1ccc(C=O)c([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ MAPT P10636 5/20 0.39
▸ THRB P10828 1/20 0.39
▸ ALDH3A1 P30838 1/20 0.39
▸ HPGD P15428 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ GNRHR P30968 1/20 0.36
▸ GAA P10253 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
SCHEMBL8067374 0.85 ALDH1A1 (0.45) ALDH1A1CA12CA1CA9KMT2A
SCHEMBL30050140 0.85 ALDH1A1 (0.42) ALDH1A1CA12CA1CA9KMT2A
SCHEMBL810717 0.79 ALDH3A1 (0.51) ALDH1A1KMT2AMEN1MAPTALDH3A1
SCHEMBL20045617 0.77 RAB9A (0.60) ALDH1A1CA12CA1CA9KMT2A
SCHEMBL29197218 0.76 KDM4E (0.43) ALDH1A1KMT2AMEN1MAPTTHRB
SCHEMBL1697905 0.75 RAB9A (0.61) ALDH1A1CA12CA1CA9KMT2A
SCHEMBL14706208 0.73 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL13832427 0.73 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL27804030 0.72 SMN1; SMN2 (0.46) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL17903007 0.72 CA12 (0.55) ALDH1A1CA12CA1CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12447153-B2 HER2 mutation inhibitors PFIZER INC. (US) 2025-10-21 — — US disclosed
CN-117940425-A HER2 mutation inhibitors 阿雷生物药品公司 2024-04-26 — — CN disclosed
US-20240124474-A1 HER2 MUTATION INHIBITORS ARRAY BIOPHARMA INC. (US) 2024-04-18 — — US disclosed
US-11834453-B2 Substituted pyrimido[5,4-d]pyrimidines as HER2 inhibitors ARRAY BIOPHARMA INC. (US) 2023-12-05 — — US disclosed
US-20230041385-A1 HER2 MUTATION INHIBITORS ARRAY BIOPHARMA INC. (US) 2023-02-09 — — US disclosed
US-20230023851-A1 HER2 MUTATION INHIBITORS ARRAY BIOPHARMA INC. (US) 2023-01-26 — — US disclosed
WO-2022269531-A1 HER2 MUTATION INHIBITORS ARRAY BIOPHARMA INC. (US) 2022-12-29 — — 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 (5 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-20230041385-A1 HER2 MUTATION INHIBITORS ERBB2, EGFR, ERBB3 ALDH1A1 2320/4885CA12 1825/4885CA1 2016/4885
US-11834453-B2 Substituted pyrimido[5,4-d]pyrimidines as HER2 inhibitors ERBB2, EGFR, ERBB3 ALDH1A1 607/4885CA12 4208/4885CA1 4010/4885
US-20240124474-A1 HER2 MUTATION INHIBITORS ERBB2, EGFR, ERBB3 ALDH1A1 1536/4885CA12 1779/4885CA1 1951/4885
US-12447153-B2 HER2 mutation inhibitors ERBB2, EGFR, ERBB3 ALDH1A1 2320/4885CA12 1825/4885CA1 2016/4885
US-20230023851-A1 HER2 MUTATION INHIBITORS ERBB2, EGFR, ERBB3 ALDH1A1 1536/4885CA12 1779/4885CA1 1951/4885

“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.