SCHEMBL7819937

SCHEMBL7819937

CC(C)(C)NC(=O)OC1(C)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.33
ACHE P22303 3/20 0.33
BCHE P06276 1/20 0.33
GAA P10253 1/20 0.33
EPHX1 P07099 1/20 0.31
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7819425 0.91 CYP19A1 (0.36) ALDH1A1SMN1; SMN2LMNAACHEBCHE
SCHEMBL7817474 0.91 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2LMNAACHEBCHE
Hydrochloric Acid SCHEMBL28132629 0.90 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2LMNAACHEBCHE
SCHEMBL13685702 0.90 CYP19A1 (0.38) ALDH1A1SMN1; SMN2LMNAACHEBCHE
SCHEMBL15286438 0.86 KDM4E (0.35) ALDH1A1SMN1; SMN2ACHEBCHE
SCHEMBL23089454 0.85 SCN1A (0.47) ALDH1A1SMN1; SMN2LMNAACHEBCHE
SCHEMBL27848372 0.85 TSHR (0.32) ALDH1A1SMN1; SMN2ACHEBCHETSHR
SCHEMBL27961248 0.84 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2LMNA
SCHEMBL27611221 0.83 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2LMNAACHEBCHE
Hydrochloric Acid SCHEMBL27961251 0.82 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022138812-A1 TETRAHYDRO THIENOPYRIDINE SULFONAMIDE COMPOUND モジュラス株式会社 2022-06-30 WO disclosed
CN-103012376-A Amide derivatives ASTRAZENECA AB 2013-04-03 CN disclosed
US-8343477-B2 Viricides; serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-7741281-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US disclosed
CN-101309690-A Chemokine receptor binding compounds ANORMED INC (CA) 2008-11-19 CN disclosed
US-20080107623-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080107624-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 US disclosed
US-7173004-B2 Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
CN-1898216-A Amide derivatives ASTRAZENECA AB (SE) 2007-01-17 CN 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 (4 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-20080107623-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP ALDH1A1 3864/4885SMN1; SMN2 4805/4885LMNA 3676/4885
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients TERT, VIP, YWHAZ ALDH1A1 3464/4885SMN1; SMN2 2517/4885LMNA 2399/4885
US-20080107624-A1 Inhibitors of Hepatitis C Virus HAVCR2, MRPS23, HCCS ALDH1A1 4217/4885SMN1; SMN2 4802/4885LMNA 3573/4885
US-20080107625-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP ALDH1A1 3864/4885SMN1; SMN2 4805/4885LMNA 3676/4885

“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.