SCHEMBL6472979

SCHEMBL6472979

NCC(=O)c1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
PTPN1 P18031 1/20 0.60
BLM P54132 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
ABL1 P00519 1/20 0.58
POLB P06746 1/20 0.58
ALPI P09923 1/20 0.58
GAA P10253 1/20 0.58
ALPG P10696 1/20 0.58
APEX1 P27695 1/20 0.58
CASP3 P42574 1/20 0.58
RECQL P46063 1/20 0.58
CASP7 P55210 1/20 0.58
CASP6 P55212 1/20 0.58
MCL1 Q07820 1/20 0.58
RIN1 Q13671 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
Hydrochloric Acid SCHEMBL6455838 0.98 NPC1 (0.58) NPC1RAB9APTPN1BLMKDM4E
Acetic Acid SCHEMBL9057647 0.91 HSD17B3 (0.53) NPC1RAB9APTPN1BLMKDM4E
Hydrochloric Acid SCHEMBL13738814 0.87 GSK3B (0.42) NPC1RAB9APTPN1BLMKDM4E
SCHEMBL883159 0.82 SMN1; SMN2 (0.50) RAB9APTPN1KDM4EALDH1A1L3MBTL1
SCHEMBL8994647 0.81 NPC1 (0.68) NPC1RAB9APTPN1BLMKDM4E
Hydrochloric Acid SCHEMBL690938 0.80 SMN1; SMN2 (0.48) RAB9APTPN1KDM4EALDH1A1L3MBTL1
SCHEMBL22919688 0.80 PARP10 (0.50) BLMALDH1A1POLBRECQLTDP1
SCHEMBL7824015 0.80 TSHR (0.60) ALDH1A1CA12CA1CA2CA3
SCHEMBL3181886 0.80 LMNA (0.47) NPC1RAB9AKDM4EPOLBAPEX1
SCHEMBL7939950 0.79 NPC1 (0.81) NPC1RAB9APTPN1BLMKDM4E

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111443154-B Research method of medicinal genetic relationship of glycyrrhiza 贵州中医药大学 2023-03-07 CN claimed
CN-111443154-A Research method of medicinal genetic relationship of glycyrrhiza 贵州中医药大学 2020-07-24 CN claimed
CN-111333685-A Synthetic method of FXR antagonist SIPI7623 metabolite 江苏柯菲平医药股份有限公司 2020-06-26 CN claimed
US-4281180-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediated therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-07-28 US claimed
JP-3200751-A None JP disclosed
US-20240124408-A1 Substituted Cyclohexanecarboxamides, Their Preparation and Their Therapeutic Application SANOFI (FR) 2024-04-18 US disclosed
US-20230382924-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230382924-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
CN-111443154-B Research method of medicinal genetic relationship of glycyrrhiza 贵州中医药大学 2023-03-07 CN disclosed
WO-2022076621-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
CN-113567639-A Comprehensive evaluation method for quality of traditional Chinese medicinal materials 中国食品药品检定研究院 2021-10-29 CN disclosed
US-11129790-B2 Chemo-enzymatic site-specific modification of peptides and proteins to form cleavable conjugates NORTHEASTERN UNIVERSITY (US) 2021-09-28 US disclosed
WO-1993001158-A1 METHOD FOR THE PREPARATION OF ARYLKETOAMINES HOECHST CELANESE CORPORATION (US) 1993-01-21 WO disclosed
JP-H03200751-A PRODUCTION OF 2-AMINO-1-(4-HYDROXYPHENYL)-ETHANONE MINERAL ACID SALT FUKUI KAGAKU KOGYO KK 1991-09-02 JP disclosed
US-4533550-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1985-08-06 US disclosed
EP-0006712-B1 HETEROCYCLIC DERIVATIVES OF (4-ARYLOXYMETHYL-1.3-DIOXOLAN-2-YL) METHYL-1H-IMIDAZOLES AND -1H-1.2.4-TRIAZOLES, THEIR PREPARATION AND THE DERIVATIVES FOR USE AS FUNGICIDES AND BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1983-11-30 EP disclosed
EP-0053539-A1 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them RHONE-POULENC SANTE (FR) 1982-06-09 EP disclosed
US-4313953-A BACTERICIDES, FUNGICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1982-02-02 US disclosed
US-4218458-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1980-08-19 US disclosed
US-3987047-A ANORETICS BOEHRINGER INGELHEIM GMBH (DT) 1976-10-19 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-11129790-B2 Chemo-enzymatic site-specific modification of peptides and proteins to form cleavable conjugates GLUL, QPCT, DNPEP NPC1 4848/4885RAB9A 1494/4885PTPN1 4635/4885
US-20240124408-A1 Substituted Cyclohexanecarboxamides, Their Preparation and Their Therapeutic Application TRPM8, TAS2R8, TRPM7 NPC1 881/4885RAB9A 849/4885PTPN1 4795/4885
US-20230382924-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B NPC1 154/4885RAB9A 1615/4885PTPN1 2015/4885

“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.