SCHEMBL508635

SCHEMBL508635

COC(=O)c1sc(Cl)nc1-c1nccc(N2CCOCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 6/20 0.48
▸ PIK3CD O00329 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.45
▸ TSHR P16473 3/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CLK4 Q9HAZ1 1/20 0.45
▸ PIK3CB P42338 1/20 0.41
▸ MTOR P42345 3/20 0.41
▸ AOC3 Q16853 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ATR Q13535 1/20 0.40
▸ ATRIP Q8WXE1 1/20 0.40
▸ PIM1 P11309 1/20 0.39

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
SCHEMBL509579 0.90 EIF2AK4 (0.39) PIK3CAPIK3CDALDH1A1TSHRUSP2
SCHEMBL509504 0.89 ALDH1A1 (0.47) ALDH1A1TSHRKMT2AMEN1USP2
SCHEMBL510233 0.88 PIK3CA (0.47) PIK3CAPIK3CDALDH1A1TSHRKMT2A
SCHEMBL510340 0.86 PIK3CD (0.39) PIK3CAPIK3CDALDH1A1KMT2AUSP2
SCHEMBL510040 0.84 WNT1 (0.37) PIK3CAPIK3CDALDH1A1USP2CYP1A2
SCHEMBL10170687 0.80 CYP1A2 (0.54) PIK3CAPIK3CDALDH1A1TSHRKMT2A
SCHEMBL509450 0.77 ALDH1A1 (0.41) PIK3CAPIK3CDALDH1A1USP2CYP1A2
SCHEMBL3405221 0.77 LMNA (0.41) ALDH1A1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL509096 0.76 HRH4 (0.48) ALDH1A1TSHRKMT2AMEN1USP2
SCHEMBL508384 0.74 ALDH1A1 (0.39) PIK3CAPIK3CDALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 — — US disclosed
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 — — US disclosed
US-8071605-B2 Piperidine compounds for use in the treatment of bacterial infections ASTRAZENECA AB (SE) 2011-12-06 — — US disclosed
US-8071605-B2 Piperidine compounds for use in the treatment of bacterial infections ASTRAZENECA AB (SE) 2011-12-06 — — US disclosed
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 ASTRAZENECA AB (SE) 2010-07-08 — — US disclosed
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 ASTRAZENECA AB (SE) 2010-07-08 — — US disclosed
WO-2010067123-A1 2- (PIPERIDIN-1-YL) -4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 — — 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 (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-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS TLR5, TLR2, PIR PIK3CA 1191/4885PIK3CD 1473/4885ALDH1A1 119/4885
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 NISCH, PAK6, MYD88 PIK3CA 1368/4885PIK3CD 1719/4885ALDH1A1 609/4885

“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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