SCHEMBL19798740

SCHEMBL19798740

CC(C)(C)OCCCNS(=O)(=O)Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.40
KEAP1 Q14145 2/20 0.40
NAMPT P43490 1/20 0.37
NR3C2 P08235 2/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PKM P14618 2/20 0.36
CA1 P00915 2/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
IL1RN P18510 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
ADRB3 P13945 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
SCHEMBL19808466 0.79 AR (0.47) HPGDKEAP1NR3C2CA1CA12
SCHEMBL19798741 0.79 MAPK1 (0.69) MAPK1ALDH1A1TSHRSMN1; SMN2PKM
SCHEMBL19798396 0.79 KEAP1 (0.42) MAPK1ALDH1A1KEAP1NR3C2POLB
SCHEMBL19798391 0.78 CA1 (0.55) ALDH1A1TSHRHPGDKEAP1POLB
SCHEMBL18866998 0.76 MAPT (0.57) MAPK1ALDH1A1NAMPTPOLBSMN1; SMN2
SCHEMBL29124111 0.75 PPARA (0.55) ALDH1A1SMN1; SMN2PKMCA1CA12
SCHEMBL15444483 0.74 KEAP1 (0.42) ALDH1A1KEAP1NAMPTPOLBSMN1; SMN2
SCHEMBL19808425 0.74 CA1 (0.39) MAPK1CA1CA12CA7CA14
SCHEMBL19798448 0.73 ALDH1A1 (0.43) MAPK1ALDH1A1TSHRSMN1; SMN2CA2
SCHEMBL19807170 0.73 SMN1; SMN2 (0.38) MAPK1ALDH1A1TSHRSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-02-12 US disclosed
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 US disclosed
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 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 (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-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof IDO1, IDO2, TDO2 MAPK1 2736/4885ALDH1A1 2128/4885TSHR 2589/4885
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 MAPK1 2736/4885ALDH1A1 2128/4885TSHR 2589/4885

“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.