SCHEMBL17558902

SCHEMBL17558902

CC(=Cc1ccc(S(=O)(=O)c2ccccc2)cc1)[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 4/20 0.72
▸ ALDH1A1 P00352 3/20 0.55
▸ MAPT P10636 3/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ JAK2 O60674 1/20 0.55
▸ MITF O75030 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ NTSR1 P30989 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ EGFR P00533 3/20 0.51
▸ ABL1 P00519 1/20 0.51
▸ ABL2 P42684 1/20 0.51
▸ HTR6 P50406 1/20 0.45
▸ PTGS2 P35354 2/20 0.44
▸ PRMT1 Q99873 1/20 0.44
▸ HSD11B1 P28845 1/20 0.43

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
SCHEMBL19397776 1.00 FBP1 (0.72) FBP1ALDH1A1MAPTKMT2ALMNA
SCHEMBL17558901 1.00 FBP1 (0.72) FBP1ALDH1A1MAPTKMT2ALMNA
SCHEMBL8628464 0.88 FBP1 (0.64) FBP1ALDH1A1MAPTKMT2ALMNA
SCHEMBL1127238 0.84 FBP1 (1.00) FBP1ALDH1A1MAPTKMT2ALMNA
SCHEMBL1032131 0.84 FBP1 (1.00) FBP1ALDH1A1MAPTKMT2ALMNA
SCHEMBL1749791 0.84 FBP1 (1.00) FBP1ALDH1A1MAPTKMT2ALMNA
SCHEMBL11166829 0.81 FBP1 (0.62) FBP1ALDH1A1MAPTKMT2ALMNA
SCHEMBL11166826 0.81 FBP1 (0.62) FBP1ALDH1A1MAPTKMT2ALMNA
SCHEMBL4801310 0.77 AKR1C3 (0.67) ALDH1A1MAPTKMT2ALMNAHTR6
SCHEMBL8039241 0.77 ALDH1A1 (0.56) ALDH1A1MAPTKMT2ALMNAHTR6

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
EP-3189049-B1 PHTHALAZINE DERIVATIVES OF FORMULA (I) AS PCAF AND GCN5 INHIBITORS FOR USE IN THE TREATMENT OF CANCER GENENTECH INC (US) 2024-03-20 — — EP disclosed
CN-107074823-B Therapeutic compounds and uses thereof 基因泰克公司 2021-05-04 — — CN disclosed
CN-107074824-B Phthalazine derivatives of formula (I) as PCAF and GCN5 inhibitors for the treatment of cancer 基因泰克公司 2021-01-08 — — CN disclosed
EP-3189046-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 — — EP disclosed
US-10358437-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-07-23 — — US disclosed
US-10316023-B2 — — 2019-06-11 — — US disclosed
US-10155764-B2 Therapeutic compounds and uses thereof GENENTECH, INC (US) 2018-12-18 — — US disclosed
US-20170334883-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 — — US disclosed
US-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-09-28 — — US disclosed
EP-3189046-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2017-07-12 — — EP disclosed
EP-3189049-A1 PHTHALAZINE DERIVATIVES OF FORMULA (I) AS PCAF AND GCN5 INHIBITORS FOR USE IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2017-07-12 — — EP disclosed
WO-2016036954-A1 PHTHALAZINE DERIVATIVES OF FORMULA (I) AS PCAF AND GCN5 INHIBITORS FOR USE IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2016-03-10 — — WO disclosed
WO-2016036873-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-10 — — 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-10316023-B2 — PKD1, NHERF1, PCSK6 FBP1 1199/4885ALDH1A1 1008/4885MAPT 1431/4885
US-20170334883-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF PKD1, NHERF1, HDAC10 FBP1 1755/4885ALDH1A1 782/4885MAPT 1830/4885
US-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF HDAC10, HDAC6, HDAC1 FBP1 2329/4885ALDH1A1 2604/4885MAPT 1601/4885
US-10358437-B2 Therapeutic compounds and uses thereof PKD1, NHERF1, HDAC10 FBP1 1755/4885ALDH1A1 782/4885MAPT 1830/4885
US-10155764-B2 Therapeutic compounds and uses thereof HDAC10, HDAC6, HDAC1 FBP1 2329/4885ALDH1A1 2604/4885MAPT 1601/4885

“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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