SCHEMBL4815932

SCHEMBL4815932

COC(=O)c1c([N+](=O)[O-])cccc1S(=O)(=O)Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC10A6 Q3KNW5 1/20 0.47
▸ VCAM1 P19320 1/20 0.47
▸ F2 P00734 1/20 0.46
▸ PRSS1 P07477 1/20 0.46
▸ PRSS2 P07478 1/20 0.46
▸ PRSS3 P35030 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ TDP1 Q9NUW8 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44

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
SCHEMBL30305428 1.00 SLC10A6 (0.47) SLC10A6VCAM1F2PRSS1PRSS2
SCHEMBL4818765 0.86 CA1 (0.51) SLC10A6VCAM1F2PRSS1PRSS2
SCHEMBL10567889 0.85 ALDH1A1 (0.47) POLBMAPTTHRBTDP1L3MBTL1
SCHEMBL11398188 0.83 TDP1 (0.56) VCAM1POLBMAPTTDP1L3MBTL1
SCHEMBL4810290 0.82 SLC10A6 (0.47) SLC10A6VCAM1F2PRSS1PRSS2
SCHEMBL9620989 0.82 TDP1 (0.57) F2PRSS1PRSS2PRSS3POLB
SCHEMBL7777718 0.82 VCAM1 (0.49) SLC10A6VCAM1F2PRSS1PRSS2
SCHEMBL10652008 0.80 SLC10A6 (0.46) SLC10A6VCAM1F2PRSS1PRSS2
SCHEMBL10565319 0.79 ALDH1A1 (0.46) SLC10A6VCAM1F2PRSS1PRSS2
SCHEMBL10569691 0.79 CYP3A4 (0.41) F2PRSS1PRSS2PRSS3POLB

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12581252-B2 Substituted pyrrolo[3,4-b]pyridines as PI3K-α inhibitors RELAY THERAPEUTICS, INC. (US) 2026-03-17 — — US disclosed
US-12219327-B2 Substituted isoindolines as PI3K-alpha inhibitors RELAY THERAPEUTICS, INC. (US) 2025-02-04 — — US disclosed
US-20240287058-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2024-08-29 — — US disclosed
US-20230353959-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2023-11-02 — — US disclosed
US-20230353959-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2023-11-02 — — US disclosed
CN-116261562-A PI 3K-alpha inhibitors and methods of use thereof 传达治疗有限公司 2023-06-13 — — CN disclosed
EP-4143196-A1 PI3K-a INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2023-03-08 — — EP disclosed
WO-2021222556-A1 PI3K-α INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2021-11-04 — — WO disclosed
US-7414011-B2 Phenylsulfonyl ureas, process for their preparation and their use as herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (US) 2008-08-19 — — US disclosed
EP-1153016-B1 PHENYLSULFONYL UREAS, METHODS FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2007-09-05 — — EP disclosed
US-4847294-A Derivatives of 2-(substituted sulfamyl)-6-nitrobenzoic acids, useful as adjuncts to radiation therapy MERCK & CO., INC. (US) 1989-07-11 — — US disclosed
EP-0197386-B1 2-(SUBSTITUTED SULFAMYL) DERIVATIVES OF 6-NITROBENZOIC ACID, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1988-11-02 — — EP disclosed
EP-0265806-A1 2-(Substituted sulfamyl)-6-nitrobenzoic acids, amides and esters thereof useful as adjuncts to radiation therapy MERCK & CO. INC. (US) 1988-05-04 — — EP disclosed
US-4731369-A Amides and esters of 2-(N-(hydroxypiperidinoalkyl) and (hydroxypyrrolidinoalkyl)-aminosulfonyl)-6-nitrobenzoic acids useful as adjuncts to radiation therapy MERCK & CO. INC. (US) 1988-03-15 — — US disclosed
US-4694020-A Derivatives of 2-(substituted sulfamyl)-6-nitrobenzoic acids and pharmaceutical compositions MERCK & CO., INC. (US) 1987-09-15 — — US disclosed
EP-0223124-A1 Substituted aminosulfonyl 6-nitrobenzoic-esters or amides, processes for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1987-05-27 — — EP disclosed
US-4654369-A Esters of 2-(substituted sulfamyl)-6-nitro-benzoic acid and pharmaceutical compositions MERCK & CO., INC. (US) 1987-03-31 — — US disclosed
US-4647588-A 2-(substituted sulfamyl)-6-nitrobenzoic acid amides and pharmaceutical compositions MERCK & CO., INC. (US) 1987-03-03 — — US disclosed
EP-0197386-A1 2-(Substituted sulfamyl) derivatives of 6-nitrobenzoic acid, process for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-10-15 — — EP disclosed
US-4603133-A Amides and esters of 2-[N-(morpholinoalkyl)aminosulfonyl]-6-nitrobenzoic acids and compositions useful as adjuncts to radiation therapy MERCK & CO., INC. (US) 1986-07-29 — — US 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 (3 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-12219327-B2 Substituted isoindolines as PI3K-alpha inhibitors PIK3CD, PIK3CB, PIK3R1 SLC10A6 4443/4885VCAM1 2402/4885F2 4733/4885
US-20240287058-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF PIK3CA, PIK3CB, PIK3CD SLC10A6 4584/4885VCAM1 1915/4885F2 4708/4885
US-12581252-B2 Substituted pyrrolo[3,4-b]pyridines as PI3K-α inhibitors RORB, ROR1, RORA SLC10A6 2945/4885VCAM1 3696/4885F2 4845/4885

“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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