SCHEMBL5956680

SCHEMBL5956680

Cc1cc2c(cc1C(=O)O)SCCC2NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
TSHR P16473 1/20 0.42
SIRT5 Q9NXA8 2/20 0.42
CPB1 P15086 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PREP P48147 2/20 0.41
NAAA Q02083 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX1 P07099 1/20 0.40

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
SCHEMBL5956672 1.00 ALDH1A1 (0.44) ALDH1A1GAASIRT2TSHRSIRT5
SCHEMBL5956599 0.92 MEN1 (0.46) ALDH1A1GAASIRT2TSHRSIRT5
SCHEMBL5956606 0.92 MEN1 (0.46) ALDH1A1GAASIRT2TSHRSIRT5
SCHEMBL5956616 0.88 ALDH1A1 (0.44) ALDH1A1GAASIRT2TSHRSIRT5
SCHEMBL5956620 0.88 ALDH1A1 (0.44) ALDH1A1GAASIRT2TSHRSIRT5
SCHEMBL5956733 0.84 KMT2A (0.47) ALDH1A1GAASIRT2TSHRSIRT5
SCHEMBL5956868 0.84 KMT2A (0.47) ALDH1A1GAASIRT2TSHRSIRT5
SCHEMBL5956724 0.84 KMT2A (0.47) ALDH1A1GAASIRT2TSHRSIRT5
Hydrochloric Acid SCHEMBL5956565 0.83 KMT2A (0.47) ALDH1A1GAASIRT2TSHRSIRT5
Hydrochloric Acid SCHEMBL5956571 0.83 KMT2A (0.47) ALDH1A1GAASIRT2TSHRSIRT5

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-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 EP 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-20030158413-A1 Amide compounds and use thereof ROCK2, ROCK1, RHOT2 ALDH1A1 2624/4885GAA 1515/4885SIRT2 428/4885

“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.