SCHEMBL25909101

SCHEMBL25909101

CC(C)(C)OC(=O)Nc1ccc(I)c2c1OCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
BRD9 Q9H8M2 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
PSMB8 P28062 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
METAP1 P53582 1/20 0.34
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
ELANE P08246 1/20 0.33
CTRB1 P17538 1/20 0.33
ATR Q13535 1/20 0.33

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
SCHEMBL25907603 0.92 CYP17A1 (0.37) CYP17A1BRD9CA12CA1CA9
SCHEMBL26148249 0.84 CA12 (0.40) CYP17A1KDM4ENPC1HPGDRAB9A
SCHEMBL24819174 0.83 AAK1 (0.37) CYP17A1KDM4ENPC1HPGDRAB9A
SCHEMBL30882154 0.83 AAK1 (0.37) CYP17A1KDM4ENPC1HPGDRAB9A
SCHEMBL30882153 0.83 AAK1 (0.37) CYP17A1KDM4ENPC1HPGDRAB9A
SCHEMBL31363518 0.80 BRD9 (0.33) CYP17A1BRD9CA12CA1CA9
SCHEMBL25033142 0.80 PSMB8 (0.34) CYP17A1KDM4ENPC1HPGDRAB9A
SCHEMBL505566 0.79 CA1 (0.42) KDM4ENPC1HPGDRAB9ACA1
SCHEMBL4487068 0.78 KDM4E (0.49) KDM4ENPC1HPGDRAB9ABRD9
SCHEMBL24819172 0.76 AAK1 (0.40) CYP17A1KDM4ENPC1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322745-A1 FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-10-12 US disclosed
US-20230322745-A1 FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-10-12 US disclosed
EP-4219485-A1 FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-02 EP disclosed
WO-2023083373-A1 COMPOUND USED AS SRC INHIBITOR 微境生物医药科技(上海)有限公司 2023-05-19 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 (1 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-20230322745-A1 FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF CYP3A43, ABCB1, ABCB11 CYP17A1 177/4885KDM4E 4471/4885NPC1 107/4885

“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.