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Sugi Predict / Compounds / SCHEMBL4569897

SCHEMBL4569897

SCHEMBL4569897

Cc1c(C)c(S(=O)(=O)C(C)(C)C)c(C)c2c1OC(C)(C)C2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ F2 P00734 1/20 0.30
▸ PLG P00747 1/20 0.30
▸ PLAU P00749 1/20 0.30
▸ ST14 Q9Y5Y6 1/20 0.30

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
SCHEMBL23790040 0.85 HSP90AA1 (0.34) HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL12214449 0.85 CYP1A2 (0.38) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL12811732 0.82 HSP90AA1 (0.38) HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL29561615 0.81 HSP90AA1 (0.37) HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL2477502 0.81 HSP90AA1 (0.37) HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL17007494 0.81 HSP90AA1 (0.37) HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL4047614 0.81 HSP90AA1 (0.37) HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL29793307 0.81 HSP90AA1 (0.37) HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL29506779 0.81 HSP90AA1 (0.37) HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL4569895 0.79 HSP90AA1 (0.37) HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11191843-B2 Multi-arm targeting anti-cancer conjugate BRIGHTGENE BIO-MEDICAL TECHNOLOGY CO., LTD. (CN) 2021-12-07 — — US disclosed
US-20210008218-A1 MULTI-ARM TARGETING ANTI-CANCER CONJUGATE BRIGHTGENE BIO-MEDICAL TECHNOLOGY CO., LTD. (CN) 2021-01-14 — — US disclosed
US-10869863-B2 Multi-arm polymeric targeting anti-cancer conjugate BRIGHTGENE BIO-MEDICAL TECHNOLOGY CO., LTD. (CN) 2020-12-22 — — US disclosed
US-8524657-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2013-09-03 — — US disclosed
US-20120269864-A1 Arginine Derivatives with NP-I Antagonistic Activity GB06/019611.7 THERAPIES LIMITED (GB) 2012-10-25 — — US disclosed
US-20120201749-A1 NP-1 Antagonists and Their Therapeutic Use GB06/019611.7 THERAPIES LIMITED (GB) 2012-08-09 — — US disclosed
US-8227606-B2 Arginine derivatives with NP-1 antagonistic activity ARK THERAPEUTICS, LTD. (GB) 2012-07-24 — — US disclosed
US-20120122862-A1 ARGININE DERIVATIVES WITH NP-I ANTAGONISTIC ACTIVITY GB06/019611.7 THERAPIES LIMITED (GB) 2012-05-17 — — US disclosed
US-8158789-B2 Arginine derivatives with NP-I antagonistic activity Ark Therapeutics Group Ltd. (GB) 2012-04-17 — — US disclosed
US-20110312875-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2011-12-22 — — US disclosed
US-8039430-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2011-10-18 — — US disclosed
US-8039430-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2011-10-18 — — US disclosed
US-20100022525-A1 Arginine Derivatives with NP-I Antagonistic Activity GB06/019611.7 THERAPIES LIMITED (GB) 2010-01-28 — — US disclosed
US-20100022525-A1 Arginine Derivatives with NP-I Antagonistic Activity GB06/019611.7 THERAPIES LIMITED (GB) 2010-01-28 — — US disclosed
US-20080300287-A1 Peptidic Compounds UNIVERSITY OF WOLLONGONG (AU) 2008-12-04 — — US disclosed
US-20080300287-A1 Peptidic Compounds UNIVERSITY OF WOLLONGONG (AU) 2008-12-04 — — 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 (9 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-20120269864-A1 Arginine Derivatives with NP-I Antagonistic Activity NPFFR1, NPR1, ARG1 HSP90AA1 3628/4885HSP90AB1 3444/4885ALDH1A1 2638/4885
US-20120201749-A1 NP-1 Antagonists and Their Therapeutic Use NPFFR1, NR0B1, NR0B2 HSP90AA1 3509/4885HSP90AB1 2852/4885ALDH1A1 1613/4885
US-20080300287-A1 Peptidic Compounds VIP, NGLY1, FURIN HSP90AA1 2255/4885HSP90AB1 1416/4885ALDH1A1 4208/4885
US-20120122862-A1 ARGININE DERIVATIVES WITH NP-I ANTAGONISTIC ACTIVITY NPFFR1, NPR1, ARG1 HSP90AA1 3628/4885HSP90AB1 3444/4885ALDH1A1 2638/4885
US-20100022525-A1 Arginine Derivatives with NP-I Antagonistic Activity NPFFR1, NPR1, ARG1 HSP90AA1 3628/4885HSP90AB1 3444/4885ALDH1A1 2638/4885
US-20210008218-A1 MULTI-ARM TARGETING ANTI-CANCER CONJUGATE DCLRE1A, RRP12, LARP1 HSP90AA1 3819/4885HSP90AB1 3657/4885ALDH1A1 3692/4885
US-11191843-B2 Multi-arm targeting anti-cancer conjugate LCP1, RRP12, PHLPP1 HSP90AA1 3576/4885HSP90AB1 3548/4885ALDH1A1 3770/4885
US-10869863-B2 Multi-arm polymeric targeting anti-cancer conjugate TOP2A, TOP1, ABCG2 HSP90AA1 2565/4885HSP90AB1 2348/4885ALDH1A1 2308/4885
US-20110312875-A1 PEPTIDIC COMPOUNDS VIP, NGLY1, FURIN HSP90AA1 2398/4885HSP90AB1 1654/4885ALDH1A1 4179/4885

“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.