SCHEMBL3099031

SCHEMBL3099031

Cc1ccc(C(C)C)c(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPBWR1 P48145 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MCHR1 Q99705 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CETP P11597 1/20 0.40

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
SCHEMBL29878896 1.00 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1LMNAL3MBTL1
SCHEMBL27031407 0.88 CA1 (0.40) ALDH1A1KDM4ETDP1LMNAL3MBTL1
SCHEMBL17318151 0.82 TSHR (0.45) ALDH1A1KDM4ETDP1LMNAL3MBTL1
SCHEMBL6942043 0.80 CA1 (0.44) ALDH1A1KDM4ETDP1LMNAL3MBTL1
SCHEMBL31364096 0.80 CA1 (0.49) ALDH1A1KDM4ETDP1LMNAL3MBTL1
SCHEMBL235717 0.79 LMNA (0.47) ALDH1A1KDM4ETDP1LMNAL3MBTL1
SCHEMBL4225144 0.79 HSD11B1 (0.41) L3MBTL1CA1CA2
SCHEMBL31204254 0.78 CA1 (0.46) ALDH1A1KDM4EL3MBTL1SMN1; SMN2MAPK1
SCHEMBL1411728 0.78 CA1 (0.46) ALDH1A1KDM4EL3MBTL1SMN1; SMN2MAPK1
SCHEMBL4581096 0.78 ACHE (0.55) ALDH1A1LMNAL3MBTL1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250289781-A1 TRIFLUOROMETHANESULFONYLATING AGENT COMPOSITION AND METHOD FOR PRODUCING TRIFLUOROMETHANESULFONYLOXY COMPOUND OR TRIFLUOROMETHANESULFONYL COMPOUND CENTRAL GLASS COMPANY, LIMITED (JP) 2025-09-18 US disclosed
CN-119137096-A Trifluoromethanesulfonyl a composition of the agent trifluoromethanesulfonyl oxy compounds or Process for producing trifluoromethanesulfonyl compound 中央硝子株式会社 2024-12-13 CN disclosed
US-20240059689-A1 PURINE DERIVATIVES AS ANTICANCER AGENTS MEDIVIR AB (SE) 2024-02-22 US disclosed
EP-4308566-A1 PURINE DERIVATIVES AS ANTICANCER AGENTS Tango Therapeutics, Inc. (US) 2024-01-24 EP disclosed
WO-2023214552-A1 TRIFLUOROMETHANE SULFONYLATION AGENT COMPOSITION AND METHOD FOR PRODUCING TRIFLUOROMETHANESULFONYLOXY COMPOUND OR TRIFLUOROMETHANE SULFONYL COMPOUND セントラル硝子株式会社 2023-11-09 WO disclosed
WO-2023214552-A1 TRIFLUOROMETHANE SULFONYLATION AGENT COMPOSITION AND METHOD FOR PRODUCING TRIFLUOROMETHANESULFONYLOXY COMPOUND OR TRIFLUOROMETHANE SULFONYL COMPOUND セントラル硝子株式会社 2023-11-09 WO disclosed
US-20230279025-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2023-09-07 US disclosed
WO-2022197892-A1 PURINE DERIVATIVES AS ANTICANCER AGENTS TANGO THERAPEUTICS, INC. (US) 2022-09-22 WO disclosed
US-8440681-B2 2-biphenylamino-4-aminopyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-05-14 US disclosed
US-20100298295-A1 2-BIPHENYLAMINO-4-AMINOPYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2010-11-25 US disclosed
EP-2190826-A2 2-BIPHENYLAMINO-4-AMINOPYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2010-06-02 EP disclosed
WO-2009032668-A2 2 -BIPHENYLAMINO-4 -AMINOPYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2009-03-12 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 (4 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-20240059689-A1 PURINE DERIVATIVES AS ANTICANCER AGENTS RRM2, TYMP, PNP ALDH1A1 520/4885KDM4E 3775/4885TDP1 82/4885
US-20250289781-A1 TRIFLUOROMETHANESULFONYLATING AGENT COMPOSITION AND METHOD FOR PRODUCING TRIFLUOROMETHANESULFONYLOXY COMPOUND OR TRIFLUOROMETHANESULFONYL COMPOUND AFF1, BRAF, AFF2 ALDH1A1 2621/4885KDM4E 2920/4885TDP1 1156/4885
US-20230279025-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS ALDH1A1 2943/4885KDM4E 3425/4885TDP1 3039/4885
US-20100298295-A1 2-BIPHENYLAMINO-4-AMINOPYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IGF1R, IGFBP1, IRS1 ALDH1A1 329/4885KDM4E 904/4885TDP1 1292/4885

“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.