SCHEMBL3916865

SCHEMBL3916865

CCOc1ccccc1NC(=O)C1=C(C(=O)O)CCC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.59
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
GAA P10253 1/20 0.56
CYP2C19 P33261 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PTK2 Q05397 1/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 3/20 0.52
HSD17B10 Q99714 1/20 0.52
DHODH Q02127 2/20 0.52

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
SCHEMBL6754645 0.86 DHODH (0.65) DHODH
SCHEMBL17415621 0.85 DHODH (0.54) P4HTMPOLBDHODH
SCHEMBL3918827 0.85 DHODH (0.64) P4HTMNPC1RAB9ADHODH
SCHEMBL3924977 0.81 DHODH (0.63) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL248162 0.80 DHODH (0.62) DHODH
SCHEMBL8970981 0.79 PTK2 (0.70) P4HTMNPC1RAB9AGAACYP2C19
SCHEMBL6754115 0.78 DHODH (0.60) DHODH
SCHEMBL7820773 0.78 KMT2A (0.71) P4HTMNPC1RAB9AGAACYP2C19
SCHEMBL251960 0.77 DHODH (0.79) DHODH
SCHEMBL2835288 0.77 GAA (0.73) NPC1RAB9AGAACYP2C19PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2093214-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2009-08-26 EP disclosed
US-7423057-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2008-09-09 US disclosed
US-7176241-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2007-02-13 US disclosed
US-20060199856-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4 SC AG (DE) 2006-09-07 US disclosed
CN-1525954-A Novel compounds useful as anti-inflammatory, immunomodulatory and antiproliferative agents 4SC�ɷݹ�˾ 2004-09-01 CN disclosed
EP-1392642-A2 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-03-03 EP disclosed
US-20030203951-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2003-10-30 US disclosed
WO-2003006425-A2 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2003-01-23 WO 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-20030203951-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, GCDH P4HTM 499/4885NPC1 1461/4885RAB9A 2639/4885
US-20060199856-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, HADHA P4HTM 300/4885NPC1 1568/4885RAB9A 3696/4885

“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.