SCHEMBL18045232

SCHEMBL18045232

Cc1cc(NC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
NPC1 O15118 3/20 0.55
ABL1 P00519 1/20 0.55
RIN1 Q13671 1/20 0.55
ALDH1A1 P00352 1/20 0.55
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
PTPN6 P29350 1/20 0.54
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49
KDM4E B2RXH2 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RHOA P61586 3/20 0.47
RHOC P08134 1/20 0.47
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
TGM1 P22735 1/20 0.46

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
SCHEMBL30507625 1.00 RAB9A (0.55) RAB9ANPC1ABL1RIN1ALDH1A1
SCHEMBL18045231 1.00 RAB9A (0.55) RAB9ANPC1ABL1RIN1ALDH1A1
SCHEMBL18045249 0.94 PTPN2 (0.61) RAB9ANPC1ABL1RIN1ALDH1A1
SCHEMBL16151174 0.94 PTPN2 (0.61) RAB9ANPC1ABL1RIN1ALDH1A1
SCHEMBL21670584 0.89 RAB9A (0.54) RAB9ANPC1ABL1RIN1ALDH1A1
SCHEMBL28578815 0.89 RAB9A (0.54) RAB9ANPC1ABL1RIN1ALDH1A1
SCHEMBL21670403 0.87 RAB9A (0.54) RAB9ANPC1ABL1RIN1ALDH1A1
SCHEMBL193295 0.86 RAB9A (0.65) RAB9ANPC1ABL1RIN1PTPN2
SCHEMBL193294 0.86 RAB9A (0.65) RAB9ANPC1ABL1RIN1PTPN2
SCHEMBL28589348 0.85 RAB9A (0.61) RAB9ANPC1ALDH1A1HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112679489-B N-sulfonyl heterocyclic derivative and pharmaceutical use thereof 重庆医科大学 2023-07-25 CN disclosed
CN-112679489-A N-sulfonyl heterocyclic derivatives and pharmaceutical use thereof 重庆医科大学 2021-04-20 CN disclosed
US-10377709-B2 Carboxamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2019-08-13 US disclosed
US-20190002406-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2019-01-03 US disclosed
US-10071961-B2 Carboxamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2018-09-11 US disclosed
US-20180065929-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2018-03-08 US disclosed
EP-3060547-B1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2017-10-11 EP disclosed
US-20170158634-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2017-06-08 US disclosed
US-9567299-B2 Carboxamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2017-02-14 US disclosed
US-20160264522-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN INFECTIOUS DISEASES BVBA (BE) 2016-09-15 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 (6 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-20190002406-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B HCCS, XDH, NR1H4 RAB9A 3354/4885NPC1 1185/4885ABL1 2190/4885
US-10071961-B2 Carboxamide derivatives and the use thereof as medicaments for the treatment of hepatitis B HCCS, NR1H4, GLS2 RAB9A 3418/4885NPC1 1066/4885ABL1 2104/4885
US-20180065929-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B HCCS, NR1H4, GLS2 RAB9A 3418/4885NPC1 1066/4885ABL1 2104/4885
US-10377709-B2 Carboxamide derivatives and the use thereof as medicaments for the treatment of hepatitis B HCCS, XDH, NR1H4 RAB9A 3354/4885NPC1 1185/4885ABL1 2190/4885
US-20160264522-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B HCCS, XDH, NR1H4 RAB9A 3354/4885NPC1 1185/4885ABL1 2190/4885
US-20170158634-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B HCCS, XDH, NR1H4 RAB9A 3354/4885NPC1 1185/4885ABL1 2190/4885

“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.