SCHEMBL29888654

SCHEMBL29888654

CC(C)(C)c1c(S(=O)(=O)O)c(S(=O)(=O)O)c2ccccc2c1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TTR P02766 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MYC P01106 1/20 0.33
MPL P40238 2/20 0.32
LDHA P00338 1/20 0.32
SENP2 Q9HC62 3/20 0.31
SENP1 Q9P0U3 3/20 0.31
SUMO2 P61956 2/20 0.31
SUMO1 P63165 2/20 0.31
SENP7 Q9BQF6 2/20 0.31
SENP3 Q9H4L4 2/20 0.31
PSD A5PKW4 1/20 0.31
HSD17B2 P37059 1/20 0.31
CYP1A2 P05177 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
SCHEMBL16553161 1.00 CYP2D6 (0.35) CYP2D6TSHRSMN1; SMN2TTRKDM4E
SCHEMBL28875258 0.98 CYP2D6 (0.34) CYP2D6TSHRSMN1; SMN2TTRKDM4E
SCHEMBL5272789 0.93 CYP2D6 (0.35) CYP2D6TSHRSMN1; SMN2TTRKDM4E
SCHEMBL7783772 0.93 CYP2D6 (0.35) CYP2D6TSHRSMN1; SMN2TTRKDM4E
SCHEMBL28576715 0.91 CYP2D6 (0.34) CYP2D6TSHRSMN1; SMN2TTRKDM4E
SCHEMBL4878318 0.91 TSHR (0.38) CYP2D6TSHRSMN1; SMN2TTRKDM4E
SCHEMBL2524546 0.77 TSHR (0.48) CYP2D6TSHRSMN1; SMN2TTRKDM4E
SCHEMBL2842391 0.76 NR1I2 (0.39) TSHRTTRPOLBTDP1PSD
SCHEMBL29908011 0.76 NR1I2 (0.39) TSHRTTRPOLBTDP1PSD
Hydrochloric Acid SCHEMBL11755878 0.75 TSHR (0.46) CYP2D6TSHRSMN1; SMN2TTRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4433487-A1 CYTARABINE-AMINO ACID BASED PRODRUG FOR THE TREATMENT OF CANCER BioSight Ltd. (IL) 2024-09-25 EP claimed
EP-4288062-A1 FOSPROPOFOL METHODS AND COMPOSITIONS Epalex Corporation (US) 2023-12-13 EP claimed
WO-2023089617-A1 CYTARABINE-AMINO ACID BASED PRODRUG FOR THE TREATMENT OF CANCER BIOSIGHT LTD. (IL) 2023-05-25 WO claimed
WO-2022169520-A1 FOSPROPOFOL METHODS AND COMPOSITIONS EPALEX CORPORATION (US) 2022-08-11 WO claimed
US-20250313564-A1 ACIDIC SALT OR CRYSTAL FORM OF NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2025-10-09 US disclosed
US-20250000862-A1 PHARMACEUTICAL FORMULATIONS FOR TREATING ENDOMETRIOSIS, UTERINE FIBROIDS, POLYCYSTIC OVARY SYNDROME OR ADENOMYOSIS ABBVIE INC. 2025-01-02 US disclosed
EP-4471032-A1 ACIDIC SALT OR CRYSTAL FORM OF NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-12-04 EP disclosed
CN-118715224-A Acid salt or crystal form of nitrogen-containing fused ring derivative inhibitor, and preparation method and application thereof 上海翰森生物医药科技有限公司 2024-09-27 CN disclosed
EP-4433487-A1 CYTARABINE-AMINO ACID BASED PRODRUG FOR THE TREATMENT OF CANCER BioSight Ltd. (IL) 2024-09-25 EP disclosed
WO-2023089617-A1 CYTARABINE-AMINO ACID BASED PRODRUG FOR THE TREATMENT OF CANCER BIOSIGHT LTD. (IL) 2023-05-25 WO disclosed
US-11478490-B1 Fospropofol formulations EPALEX CORPORATION (US) 2022-10-25 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-11478490-B1 Fospropofol formulations FOS, PFAS, FOSB CYP2D6 40/4885TSHR 2607/4885SMN1; SMN2 1000/4885
US-20250313564-A1 ACIDIC SALT OR CRYSTAL FORM OF NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF NR5A1, HSD17B11, CYP17A1 CYP2D6 3240/4885TSHR 678/4885SMN1; SMN2 4839/4885
US-20250000862-A1 PHARMACEUTICAL FORMULATIONS FOR TREATING ENDOMETRIOSIS, UTERINE FIBROIDS, POLYCYSTIC OVARY SYNDROME OR ADENOMYOSIS GNRHR, LPXN, LHCGR CYP2D6 2482/4885TSHR 663/4885SMN1; SMN2 4688/4885

“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.