SCHEMBL17211738

SCHEMBL17211738

CC(=O)C1Nc2ccc(C(=O)O)cc2C2C=CCC12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA1A P0DMV8 7/20 0.81
▸ PTPN7 P35236 7/20 0.81
▸ MASP2 O00187 3/20 0.81
▸ CDC25B P30305 2/20 0.81
▸ CD44 P16070 1/20 0.81
▸ PTPN1 P18031 1/20 0.81
▸ MSN P26038 1/20 0.81
▸ AKT1 P31749 1/20 0.81
▸ EZH2 Q15910 1/20 0.81
▸ KMT2A Q03164 10/20 0.74
▸ POLB P06746 9/20 0.74
▸ L3MBTL1 Q9Y468 6/20 0.74
▸ ALDH1A1 P00352 5/20 0.74
▸ GAA P10253 4/20 0.74
▸ APOBEC3A P31941 2/20 0.74
▸ APOBEC3G Q9HC16 2/20 0.74
▸ NSD2 O96028 2/20 0.74
▸ MCL1 Q07820 2/20 0.74
▸ USP2 O75604 1/20 0.74
▸ ALPL P05186 1/20 0.74

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
SCHEMBL2808722 0.90 PTPN7 (1.00) HSPA1APTPN7MASP2CDC25BCD44
SCHEMBL29415450 0.90 PTPN7 (1.00) HSPA1APTPN7MASP2CDC25BCD44
SCHEMBL16706084 0.85 POLB (1.00) HSPA1APTPN7MASP2CDC25BCD44
SCHEMBL29954899 0.85 POLB (1.00) HSPA1APTPN7MASP2CDC25BCD44
SCHEMBL23949487 0.84 KMT2A (1.00) HSPA1APTPN7MASP2CDC25BCD44
SCHEMBL26458981 0.84 KMT2A (1.00) HSPA1APTPN7MASP2CDC25BCD44
SCHEMBL23950001 0.82 KMT2A (1.00) HSPA1APTPN7MASP2CDC25BCD44
SCHEMBL23949935 0.80 KMT2A (1.00) HSPA1APTPN7MASP2CDC25BCD44
SCHEMBL23949811 0.79 MAPT (0.81) HSPA1APTPN7MASP2CDC25BCD44
SCHEMBL681674 0.79 MAPT (0.81) HSPA1APTPN7MASP2CDC25BCD44

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-9340532-B2 Methods and compositions for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-05-17 — — US disclosed
US-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2015-10-29 — — 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 (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-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CAMKK2 HSPA1A 4301/4885PTPN7 1125/4885MASP2 3217/4885

“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.

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