SCHEMBL25520188

SCHEMBL25520188

O=S(=O)(c1cc(I)ccc1Br)C1CCOC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.35
AKT1 P31749 8/20 0.35
MTOR P42345 5/20 0.34
RIPK1 Q13546 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.32
CXCR2 P25025 1/20 0.32
NAMPT P43490 2/20 0.31

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
SCHEMBL29973654 1.00 PIK3CA (0.35) PIK3CAAKT1MTORRIPK1PIK3C3
SCHEMBL25520210 0.83 RAD51 (0.35)
SCHEMBL29973648 0.83 RAD51 (0.35)
SCHEMBL25519896 0.80 CA12 (0.34)
SCHEMBL29973748 0.80 CA12 (0.34)
SCHEMBL29973612 0.79 CA1 (0.43) PIK3CAAKT1MTORRIPK1CXCR2
SCHEMBL25520194 0.79 CA1 (0.43) PIK3CAAKT1MTORRIPK1CXCR2
SCHEMBL28913228 0.74 TSHR (0.33)
SCHEMBL25519976 0.70 HTR2A (0.35)
SCHEMBL29191944 0.69 NAMPT (0.41) PIK3CAAKT1MTORPIK3C3NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 US disclosed
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 US disclosed
CN-115315423-A Substituted aryl compounds 先声药业有限公司 2022-11-08 CN 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-20230142274-A1 SUBSTITUTED ARYL COMPOUND RAD51, FANCI, BLM PIK3CA 1288/4885AKT1 691/4885MTOR 2026/4885

“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.