Sugi Predict

Sugi Predict / Compounds / SCHEMBL19224348

SCHEMBL19224348

SCHEMBL19224348

CC(C)(C)C(=O)Cc1ccccc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD11B1 P28845 1/20 0.41
▸ POLQ O75417 1/20 0.41
▸ CA2 P00918 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ ATM Q13315 2/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ AKR1B1 P15121 1/20 0.35
▸ RBP4 P02753 2/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL18751691 0.86 HSD11B1 (0.47) ALDH1A1TSHRHSD11B1NR1H4AKR1B1
SCHEMBL3852706 0.82 AKR1B1 (0.55) ALDH1A1TDP1TSHRPOLQKDM4E
SCHEMBL8975793 0.82 L3MBTL1 (0.46) ALDH1A1TDP1TSHRPOLQCA2
SCHEMBL12203516 0.81 ALDH1A1 (0.42) ALDH1A1TDP1TSHRPOLQCA2
SCHEMBL8870525 0.81 ALDH1A1 (0.42) ALDH1A1TDP1TSHRPOLQCA2
SCHEMBL10419287 0.78 AKR1B1 (0.61) ALDH1A1TDP1TSHRHSD11B1CA2
SCHEMBL13543165 0.78 CTBP2 (0.51) ALDH1A1TSHRHSD11B1GAAHTT
SCHEMBL14803742 0.78 KDM4E (0.44) ALDH1A1TDP1TSHRPOLQKDM4E
SCHEMBL8000097 0.78 ALDH1A1 (0.41) ALDH1A1TDP1TSHRPOLQCA2
SCHEMBL13012097 0.77 RIPK1 (0.49) ALDH1A1HSD11B1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170224829-A1 Prodrugs Comprising an Aminoalkyl Glycine Linker ASCENDIS PHARMA A/S (DK) 2017-08-10 — — US disclosed
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 — — US disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 — — US disclosed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 — — US disclosed
US-20110039827-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 — — 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 (3 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-20170224829-A1 Prodrugs Comprising an Aminoalkyl Glycine Linker DNPEP, PAM, ASNS ALDH1A1 725/4885TDP1 1621/4885TSHR 2899/4885
US-20110039827-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 ALDH1A1 1505/4885TDP1 2669/4885TSHR 3485/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 ALDH1A1 1505/4885TDP1 2669/4885TSHR 3485/4885

“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.