SCHEMBL1706132

SCHEMBL1706132

CC(=C1C(=O)Nc2ccc(S(N)(=O)=O)cc21)c1c[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 9/20 0.62
▸ NTRK1 P04629 4/20 0.59
▸ SYK P43405 4/20 0.59
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ NTRK3 Q16288 2/20 0.46
▸ NTRK2 Q16620 2/20 0.46
▸ FCER2 P06734 1/20 0.46
▸ AKT1 P31749 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ PBRM1 Q86U86 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL5469781 0.81 PBRM1 (0.51) NTRK1NTRK3NTRK2LMNAPBRM1
SCHEMBL5728135 0.77 PDPK1 (1.00) PDPK1NTRK1SYKCA12CA1
SCHEMBL31388440 0.76 PDPK1 (0.67) PDPK1NTRK1SYKCA12CA1
SCHEMBL5182671 0.74 NTRK1 (1.00) PDPK1NTRK1SYKCA12CA1
SCHEMBL5182676 0.74 NTRK1 (1.00) PDPK1NTRK1SYKCA12CA1
SCHEMBL5477306 0.71 KDM4E (0.45) PDPK1NTRK1NTRK3NTRK2PBRM1
SCHEMBL5813081 0.70 NTRK1 (0.48) NTRK1SYKNTRK3NTRK2PBRM1
SCHEMBL5481895 0.70 TDP1 (0.52) NTRK1NTRK3NTRK2MEN1KMT2A
SCHEMBL5464903 0.70 NTRK1 (0.59) NTRK1SYKNTRK3NTRK2LMNA
SCHEMBL5728181 0.70 PDPK1 (1.00) PDPK1NTRK1SYKCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170172989-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE LLC (US) 2017-06-22 — — US claimed
US-20100173954-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE LLC (US) 2010-07-08 — — US claimed
EP-2114403-A2 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS Bayer Healthcare, LLC (US) 2009-11-11 — — EP claimed
WO-2008089388-A2 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE LLC (US) 2008-07-24 — — WO claimed
EP-3590960-B1 IGG STIMULATED REMYELINATION OF PERIPHERAL NERVES TAKEDA PHARMACEUTICALS CO (JP) 2023-03-29 — — EP disclosed
US-20210300997-A1 IgG STIMULATED REMYELINATION OF PERIPHERAL NERVES Baxalta GmbH (CH) 2021-09-30 — — US disclosed
US-20200216518-A1 IgG STIMULATED REMYELINATION OF PERIPHERAL NERVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-09 — — US disclosed
US-10494418-B2 IgG stimulated remyelination of peripheral nerves TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-12-03 — — US disclosed
EP-2820042-B1 IGG STIMULATED REMYELINATION OF PERIPHERAL NERVES Baxalta GmbH (CH) 2019-07-24 — — EP disclosed
US-20180291087-A1 IgG STIMULATED REMYELINATION OF PERIPHERAL NERVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-11 — — US disclosed
US-9834593-B2 IgG stimulated remyelination of peripheral nerves BAXALTA INCORPORATED (US) 2017-12-05 — — US disclosed
US-20170172989-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE LLC (US) 2017-06-22 — — US disclosed
EP-2114403-A2 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS Bayer Healthcare, LLC (US) 2009-11-11 — — EP disclosed
WO-2008097249-A2 METHOD FOR THE TREATMENT OF ANTHRAX TOXICITY CHILDREN'S MEDICAL CENTER CORPORATION (US) 2008-08-14 — — WO disclosed
WO-2008089388-A2 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE LLC (US) 2008-07-24 — — WO disclosed
US-20080103107-A1 Screening Methods KING'S COLLEGE LONDON (GB) 2008-05-01 — — US disclosed
WO-2008048466-A2 BONE RESORPTION DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-04-24 — — WO disclosed
EP-1794313-A2 SCREENING METHODS USING C-ABL, FYN AND SYK IN COMBINATION WITH TAU PROTEIN PROTEOME SCIENCES PLC (GB) 2007-06-13 — — EP disclosed
US-20070065866-A1 Compositions and Methods for Suppressing Fibrocytes WILLIAM MARSH RICE UNIVERSITY 2007-03-22 — — US disclosed
WO-2005123048-A2 SCREENING METHODS USING C-ABL, FYN AND SYK IN COMBINATION WITH TAU PROTEIN PROTEOME SCIENCES PLC (GB) 2005-12-29 — — 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 (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-20170172989-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS CDK4, TP53, ABCC1 PDPK1 369/4885NTRK1 3356/4885SYK 2313/4885
US-20100173954-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS CDK4, TP53, ABCC1 PDPK1 369/4885NTRK1 3356/4885SYK 2313/4885

“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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