SCHEMBL3097370

SCHEMBL3097370

CCN(CC)C(=O)[C@H](Cc1ccc(NC(=O)c2ccccn2)cc1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
HPGD P15428 1/20 0.51
PKM P14618 2/20 0.50
HTT P42858 1/20 0.50
GAA P10253 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
USP30 Q70CQ3 2/20 0.46
KDR P35968 1/20 0.46
GRM4 Q14833 7/20 0.44
KDM4E B2RXH2 1/20 0.43
MITF O75030 1/20 0.43
LARS1 Q9P2J5 1/20 0.42
MAPT P10636 1/20 0.42
PTGS2 P35354 1/20 0.41

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 SCHEMBL3101058 0.99 NPC1 (0.50) NPC1RAB9AHPGDPKMHTT
SCHEMBL3097672 0.92 RAB9A (0.53) NPC1RAB9AHPGDPKMHTT
SCHEMBL3093089 0.92 KDR (0.51) NPC1RAB9AHPGDPKMHTT
SCHEMBL3100500 0.92 NPC1 (0.49) NPC1RAB9AHPGDPKMHTT
SCHEMBL3093062 0.91 NPC1 (0.48) NPC1RAB9AHPGDPKMHTT
SCHEMBL3097207 0.89 LMNA (0.47) NPC1RAB9AHPGDHTTGAA
SCHEMBL3079484 0.89 NPC1 (0.46) NPC1RAB9AHPGDHTTTP53
SCHEMBL3093901 0.88 MMP9 (0.46) NPC1RAB9ALMNALARS1
SCHEMBL3102970 0.88 MMP9 (0.46) NPC1RAB9ALMNALARS1
Hydrochloric Acid SCHEMBL3089133 0.87 SMN1; SMN2 (0.45) NPC1RAB9APKMHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180280326-A1 MEDICAMENT FOR PREVENTING OR INHIBITING ACUTE KIDNEY INJURY NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2018-10-04 US claimed
US-10071099-B2 Medicament for suppressing malignant tumor metastasis NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2018-09-11 US claimed
EP-3127554-A1 MEDICINE FOR SUPPRESSING MALIGNANT TUMOR METASTASIS National Cerebral and Cardiovascular Center (JP) 2017-02-08 EP claimed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US claimed
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP claimed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP claimed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US claimed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US claimed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 EP claimed
US-10071099-B2 Medicament for suppressing malignant tumor metastasis NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2018-09-11 US disclosed
EP-3127554-A1 MEDICINE FOR SUPPRESSING MALIGNANT TUMOR METASTASIS National Cerebral and Cardiovascular Center (JP) 2017-02-08 EP disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 EP 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-20180280326-A1 MEDICAMENT FOR PREVENTING OR INHIBITING ACUTE KIDNEY INJURY AGTR2, AGTR1, REN NPC1 2756/4885RAB9A 2218/4885HPGD 1285/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 NPC1 3306/4885RAB9A 826/4885HPGD 1736/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 NPC1 2415/4885RAB9A 3461/4885HPGD 2234/4885
US-10071099-B2 Medicament for suppressing malignant tumor metastasis AGTR2, MME, AGTR1 NPC1 2415/4885RAB9A 3461/4885HPGD 2234/4885

“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.