SCHEMBL5577096

SCHEMBL5577096

O=C(O)[C@@H]1CCC[C@H]1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ USP2 O75604 1/20 0.61
▸ GSTO1 P78417 1/20 0.58
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ POLB P06746 1/20 0.57
▸ CASP6 P55212 1/20 0.57
▸ LMNA P02545 3/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ MAPT P10636 2/20 0.56
▸ MCOLN3 Q8TDD5 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.55
▸ CSNK2A1 P68400 3/20 0.54
▸ AR P10275 1/20 0.52
▸ MAOA P21397 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ ELOVL1 Q9BW60 1/20 0.51

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
SCHEMBL7241453 0.89 RAB9A (0.65) RAB9ANPC1USP2GSTO1MEN1
SCHEMBL7239435 0.88 RAB9A (0.61) RAB9ANPC1GSTO1MEN1KMT2A
SCHEMBL7258047 0.83 RAB9A (0.70) RAB9ANPC1GSTO1MEN1KMT2A
SCHEMBL5577099 0.83 RAB9A (0.55) RAB9ANPC1GSTO1MEN1KMT2A
SCHEMBL30581066 0.81 RAB9A (0.78) RAB9ANPC1GSTO1MEN1KMT2A
SCHEMBL2559540 0.80 RAB9A (0.65) RAB9ANPC1GSTO1MEN1KMT2A
SCHEMBL3134371 0.78 USP2 (0.56) RAB9ANPC1USP2MEN1KMT2A
SCHEMBL3134405 0.78 USP2 (0.56) RAB9ANPC1USP2MEN1KMT2A
SCHEMBL3134384 0.78 USP2 (0.56) RAB9ANPC1USP2MEN1KMT2A
SCHEMBL3139817 0.78 USP2 (0.56) RAB9ANPC1USP2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027193-A1 Method of identifying inhibitors of DHODH 4SC AG (DE) 2007-02-01 — — US claimed
EP-1581478-A1 DHODH-INHIBITORS AND METHOD FOR THEIR IDENTIFICATION 4SC AG (DE) 2005-10-05 — — EP claimed
EP-1541198-A1 Cycloalkyl compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2005-06-15 — — EP claimed
WO-2004056747-A1 DHODH-INHIBITORS AND METHOD FOR THEIR IDENTIFICATION 4SC AG (DE) 2004-07-08 — — WO claimed
EP-1541198-A1 Cycloalkyl compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2005-06-15 — — EP disclosed
US-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-20 — — 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-20070027193-A1 Method of identifying inhibitors of DHODH DHODH, SQOR, NDUFA5 RAB9A 2708/4885NPC1 2985/4885USP2 1277/4885
US-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production TERT, POT1, REV1 RAB9A 3964/4885NPC1 2716/4885USP2 3925/4885

“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.

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