SCHEMBL6206003

SCHEMBL6206003

CCCCc1ccc(C(=O)C2CCNCC2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGER2 P43116 6/20 0.39
PTGER3 P43115 4/20 0.39
PTGDR Q13258 3/20 0.39
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PRNP P04156 1/20 0.39
RECQL P46063 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PTGER1 P34995 1/20 0.38
PTGER4 P35408 2/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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
Hydrochloric Acid SCHEMBL6207103 0.99 MEN1 (0.43) MEN1CYP2D6KMT2APOLBTDP1
SCHEMBL6207559 0.75 PTPN2 (0.46) KMT2AALDH1A1RECQLHPGDNPC1
SCHEMBL5717164 0.74 MEN1 (0.46) MEN1KMT2AGNAI3GNAO1GNAI1
SCHEMBL3186013 0.73 ALDH1A1 (0.66) MEN1KMT2APOLBTDP1PTGER2
SCHEMBL261238 0.73 POLB (0.54) POLBTDP1PTGER2PTGER3PTGDR
Hydrochloric Acid SCHEMBL5717197 0.73 MEN1 (0.45) MEN1KMT2AGNAI3GNAO1GNAI1
SCHEMBL13874451 0.71 PKM (0.51) MEN1CYP2D6KMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL224845 0.71 MEN1 (0.47) MEN1CYP2D6KMT2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL229437 0.71 MEN1 (0.47) MEN1CYP2D6KMT2ATSHR
Hydrochloric Acid SCHEMBL3847567 0.70 PKM (0.50) MEN1CYP2D6KMT2AALDH1A1TSHR

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
EP-1565459-A2 HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2005-08-24 EP disclosed
US-20040142979-A1 Heteroarylsulfonylmethyl hydroxamic acids and amides and their use as protease inhibitors PHARMACIA CORPORATION 2004-07-22 US disclosed
WO-2004048368-A2 HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2004-06-10 WO disclosed
WO-2004048368-A2 HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2004-06-10 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-20040142979-A1 Heteroarylsulfonylmethyl hydroxamic acids and amides and their use as protease inhibitors MMP3, MMP13, MMP10 MEN1 3039/4885CYP2D6 2919/4885KMT2A 1113/4885

“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.