SCHEMBL20086461

SCHEMBL20086461

CC(C)NC(=O)c1ccc(NC(=O)C(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ NPSR1 Q6W5P4 3/20 0.60
▸ HTT P42858 2/20 0.60
▸ HPGD P15428 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ MLYCD O95822 2/20 0.58
▸ POLB P06746 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ STAT3 P40763 1/20 0.56
▸ KMT2A Q03164 4/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ ADORA2A P29274 1/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ MAPT P10636 3/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ LMNA P02545 2/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ KDM4E B2RXH2 3/20 0.53

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
SCHEMBL26884995 0.95 ALDH1A1 (0.55) ALDH1A1RAB9ANPSR1HTTHPGD
SCHEMBL5502887 0.84 CACNA1B (0.61) ALDH1A1HTTHPGDSMN1; SMN2MLYCD
SCHEMBL22808235 0.83 CA1 (0.56) ALDH1A1RAB9AHTTSMN1; SMN2MLYCD
SCHEMBL8590217 0.82 MLYCD (0.70) ALDH1A1RAB9ANPSR1HTTHPGD
SCHEMBL18880072 0.82 ALDH1A1 (0.73) ALDH1A1RAB9ANPSR1HTTHPGD
SCHEMBL22808227 0.82 ALDH1A1 (0.60) ALDH1A1RAB9ANPSR1HTTHPGD
SCHEMBL1950332 0.82 KMT2A (0.54) ALDH1A1RAB9ANPSR1HTTHPGD
SCHEMBL26884994 0.82 DGAT1 (0.51) ALDH1A1RAB9ANPSR1HTTHPGD
SCHEMBL26884991 0.82 PTPN1 (0.56) ALDH1A1RAB9ASMN1; SMN2POLBSTAT3
SCHEMBL18814519 0.81 CA12 (0.60) ALDH1A1RAB9ANPSR1HTTHPGD

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-11324731-B2 TXNIP-TRX complex inhibitors and methods of using the same CITY OF HOPE (US) 2022-05-10 — — US disclosed
US-10869934-B2 Antiproliferative compounds and conjugates made therefrom BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-22 — — US disclosed
US-20200085800-A1 TXNIP-TRX COMPLEX INHIBITORS AND METHODS OF USING THE SAME CITY OF HOPE 2020-03-19 — — US disclosed
US-10398783-B2 Antiproliferative compounds and conjugates made therefrom BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 — — US disclosed
US-20180110873-A1 ANTIPROLIFERATIVE COMPOUNDS AND CONJUGATES MADE THEREFROM BRISTOL-MYERS SQUIBB COMPANY 2018-04-26 — — 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 (5 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-20180110873-A1 ANTIPROLIFERATIVE COMPOUNDS AND CONJUGATES MADE THEREFROM MKI67, HDGF, PCLAF ALDH1A1 314/4885RAB9A 3108/4885NPSR1 2021/4885
US-11324731-B2 TXNIP-TRX complex inhibitors and methods of using the same TXN, TXN2, TXNRD3 ALDH1A1 3479/4885RAB9A 4163/4885NPSR1 4610/4885
US-10869934-B2 Antiproliferative compounds and conjugates made therefrom MKI67, HDGF, PCLAF ALDH1A1 314/4885RAB9A 3108/4885NPSR1 2021/4885
US-10398783-B2 Antiproliferative compounds and conjugates made therefrom MKI67, HDGF, PCLAF ALDH1A1 314/4885RAB9A 3108/4885NPSR1 2021/4885
US-20200085800-A1 TXNIP-TRX COMPLEX INHIBITORS AND METHODS OF USING THE SAME TXN, TXN2, TXNRD3 ALDH1A1 3479/4885RAB9A 4163/4885NPSR1 4610/4885

“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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