SCHEMBL20177149

SCHEMBL20177149

BC(=O)c1nc[nH]c1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35
TUBB3 Q13509 2/20 0.35
TUBB2A Q13885 2/20 0.35
TUBB8 Q3ZCM7 2/20 0.35
TUBA3E Q6PEY2 2/20 0.35
TUBA1A Q71U36 2/20 0.35
TUBA1C Q9BQE3 2/20 0.35
TUBB6 Q9BUF5 2/20 0.35
TUBB2B Q9BVA1 2/20 0.35
TUBB1 Q9H4B7 2/20 0.35
CYP2C19 P33261 2/20 0.34
HSD17B10 Q99714 1/20 0.34
HPGD P15428 1/20 0.34
RAF1 P04049 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL67583 0.65 RAF1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21441021 0.65 RAF1 (0.31) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21719515 0.64 CDK2 (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21718551 0.64 TUBB4A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21719522 0.64 HPGD (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22726012 0.64 HPGD (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21050025 0.63 CYP1A2 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21719501 0.63 PDPK1 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25143171 0.61 ALDH1A1 (0.44) L3MBTL1POLBTDP1PDPK1
SCHEMBL2588734 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10434098-B2 Deuterated dehydrophenylahistin compounds and preparation method thereof and use thereof in preparation of anti-tumor drugs MARINE BIOMEDICAL RESEARCH INSTITUTE OF QINGDAO CO., LTD. (CN) 2019-10-08 US disclosed
US-20180140600-A1 DEUTERATED DEHYDROPHENYLAHISTIN COMPOUNDS AND PREPARATION METHOD THEREOF AND USE THEREOF IN PREPARATION OF ANTI-TUMOR DRUGS SHENZHEN HUAHONG MARINE BIOMEDICINE CO., LTD (CN) 2018-05-24 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 (2 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-10434098-B2 Deuterated dehydrophenylahistin compounds and preparation method thereof and use thereof in preparation of anti-tumor drugs DHPS, TUBB1, TUBB TUBB4A 14/4885TUBB 3/4885TUBA3C 25/4885
US-20180140600-A1 DEUTERATED DEHYDROPHENYLAHISTIN COMPOUNDS AND PREPARATION METHOD THEREOF AND USE THEREOF IN PREPARATION OF ANTI-TUMOR DRUGS DHPS, DHODH, DHFR TUBB4A 23/4885TUBB 10/4885TUBA3C 75/4885

“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.